CAS 152628-02-9|4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole|4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole|2-n-Propyl-4-methyl-6-(1-methylbenz...

General Information

Structure

Molecular Formula

C₁₉H₂₀N₄

Molecular Mass

304.3889

Exact Mass

304.16879666

Charge

InChI

InChI=1S/C19H20N4/c1-4-7-17-20-15-11-13(10-12(2)18(15)22-17)19-21-14-8-5-6-9-16(14)23(19)3/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)

InChIKey

ILXRSCZVHSZGCS-UHFFFAOYSA-N

Canonic Smiles

CCCc1nc2c([nH]1)cc(cc2C)c1nc2c(n1C)cccc2

Isomeric Smiles

c1(nc2c([nH]1)cc(cc2C)c1nc2c(n1C)cccc2)CCC

Calculated Properties

JChem

Acid pKa

12.6959305

H Acceptors

H Donor

LogD (pH = 5.5)

3.7348442

LogD (pH = 7.4)

4.5431204

Log P

4.575799

Molar Refractivity

102.5871

Polarizability

38.35702

Polar Surface Area

46.5

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole 7-methyl-5-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole

IUPAC Traditional name

4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole 4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-3H-1,3-benzodiazole

Synonyms

2-n-Propyl-4-methyl-6-(1-methylbenzimidazole-2-yl)benzimidazole2-n-Propyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-benzimidazole1,7'-Dimethyl-2'-propyl-2,5'-bi-1H-benzimidazole4-Methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Product Information

95+%

97%

Download link

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

TRC

P838280

An impurity found in Telmisartan (T017000).

Molecule Details

References

PubChem Literature

No Data Available

Click here to submit data

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC name

4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole 7-methyl-5-(1-methyl-1H-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole

IUPAC Traditional name

4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-1H-1,3-benzodiazole 4-methyl-6-(1-methyl-1,3-benzodiazol-2-yl)-2-propyl-3H-1,3-benzodiazole

Synonyms

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

P838280

An impurity found in Telmisartan (T017000).

References

PubChem Literature

No Data Available

Click here to submit data

Bioactivity

PubChem BioAssay

Properties

Safety Information

Product Information

95+%

97%

Download link

Molecule

ID:66710