CAS 4238-71-5|1-benzylimidazole|BIM|1-benzylimidazole|1-benzyl-1H-imidazole|N-Benzylimidazole|1-Benzyl-1H-imidazole|1-Benzylimidazole|1-BENZYL IMIDAZOLE|1-苄基咪唑|1-benzyl-1H-imidazole

General Information

Structure

Molecular Formula

C₁₀H₁₀N₂

Molecular Mass

158.1998

Exact Mass

158.08439833

Charge

InChI

InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2

InChIKey

KKKDZZRICRFGSD-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)Cn1cncc1

Isomeric Smiles

C(n1ccnc1)c1ccccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2747616

LogD (pH = 7.4)

1.7393606

Log P

1.802925

Molar Refractivity

48.5221

Polarizability

18.512987

Polar Surface Area

17.82

Rotatable Bonds

Lipinski's Rule of Five

true

ALOGPS 2.1

Log P

1.58

LOG S

-2.03

Solubility (Water)

1.47e+00 g/l

Data Source

Names and Identifiers

Synonyms

1-benzylimidazoleBIMN-Benzylimidazole1-Benzyl-1H-imidazole1-Benzylimidazole1-BENZYL IMIDAZOLE1-苄基咪唑1-benzyl-1H-imidazole

IUPAC Traditional name

1-benzylimidazole

IUPAC name

1-benzyl-1H-imidazole

Names and Identifiers

Registration numbers

CAS Number

4238-71-5

EC Number

224-200-4

MDL Number

MFCD00005296

PubChem SID

248481854650684416096758024847290

Beilstein Number

114571

PubChem CID

77918

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

MP Biomedicals

05223369

MP Biomedicals Rare Chemical collection

DrugBank

DB04581

Drug Groups

experimental

Description

1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity.

Affected Organisms

Humans and other mammals

References

• Mori Y, Iimura K, Hirano K: N-benzylimidazole, a potent inducer of rat liver enzymes involved in mutagenic activation of various carcinogens. Mutat Res. 1993 Jun;302(2):129-33. [Pubmed]

• Lucas J, Chan PS, Mateja N, Cervoni P, Ronsberg MA, Lipchuck LM: 1-Benzylimidazole, a thromboxane synthetase inhibitor acutely lowers blood pressure mainly by alpha-adrenoceptor blockade in spontaneously hypertensive rats (SHR). Prostaglandins Leukot Med. 1983 Dec;12(4):409-21. [Pubmed]

• Tuttle RS, Garcia-Minor C, Simon M: Cardiovascular effects of 1-benzylimidazole. J Pharmacol Exp Ther. 1975 Sep;194(3):624-32. [Pubmed]

Sigma Aldrich

116416

Packaging
25 g in poly bottle
5 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Tuttle RS, Garcia-Minor C, Simon M: Cardiovascular effects of 1-benzylimidazole. J Pharmacol Exp Ther. 1975 Sep;194(3):624-32. Pubmed

• Mori Y, Iimura K, Hirano K: N-benzylimidazole, a potent inducer of rat liver enzymes involved in mutagenic activation of various carcinogens. Mutat Res. 1993 Jun;302(2):129-33. Pubmed

• Can be lithiated and subsequently alkylated at the benzylic position: Synthesis, 303 (1985).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

1-benzylimidazoleBIMN-Benzylimidazole1-Benzyl-1H-imidazole1-Benzylimidazole1-BENZYL IMIDAZOLE1-苄基咪唑1-benzyl-1H-imidazole

IUPAC Traditional name

1-benzylimidazole

IUPAC name

1-benzyl-1H-imidazole

Registration numbers

CAS Number

4238-71-5

EC Number

224-200-4

MDL Number

MFCD00005296

PubChem SID

248481854650684416096758024847290

Beilstein Number

114571

PubChem CID

77918

Properties

Molecule Details

MP Biomedicals

05223369

MP Biomedicals Rare Chemical collection

DrugBank

DB04581

Drug Groups

experimental

Description

1-benzylimidazole, an N-imidazole derivative, has been shown to have strong cardiotonic activity.

Affected Organisms

Humans and other mammals

References

• Mori Y, Iimura K, Hirano K: N-benzylimidazole, a potent inducer of rat liver enzymes involved in mutagenic activation of various carcinogens. Mutat Res. 1993 Jun;302(2):129-33. [Pubmed]

• Tuttle RS, Garcia-Minor C, Simon M: Cardiovascular effects of 1-benzylimidazole. J Pharmacol Exp Ther. 1975 Sep;194(3):624-32. [Pubmed]

Sigma Aldrich

116416

Packaging
25 g in poly bottle
5 g in glass bottle

References

PubChem Literature

From Data Sources

• Tuttle RS, Garcia-Minor C, Simon M: Cardiovascular effects of 1-benzylimidazole. J Pharmacol Exp Ther. 1975 Sep;194(3):624-32. Pubmed

• Mori Y, Iimura K, Hirano K: N-benzylimidazole, a potent inducer of rat liver enzymes involved in mutagenic activation of various carcinogens. Mutat Res. 1993 Jun;302(2):129-33. Pubmed

• Can be lithiated and subsequently alkylated at the benzylic position: Synthesis, 303 (1985).

Bioactivity

PubChem BioAssay

Molecule

ID:4148