4-(4-isopropylphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine|4-[4-(propan-2-yl)phenyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine|4-(4-isopropylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

General Information

Structure

Molecular Formula

C₁₅H₁₉N₃

Molecular Mass

241.33146

Exact Mass

241.15789762

Charge

InChI

InChI=1S/C15H19N3/c1-10(2)11-3-5-12(6-4-11)14-15-13(7-8-16-14)17-9-18-15/h3-6,9-10,14,16H,7-8H2,1-2H3,(H,17,18)

InChIKey

LNMXQEAWYNFGFK-UHFFFAOYSA-N

Canonic Smiles

CC(c1ccc(cc1)C1NCCc2c1[nH]cn2)C

Isomeric Smiles

c12c(nc[nH]2)CCNC1c1ccc(cc1)C(C)C

Calculated Properties

JChem

Acid pKa

13.559978

H Acceptors

H Donor

LogD (pH = 5.5)

0.11124515

LogD (pH = 7.4)

1.8880564

Log P

2.432087

Molar Refractivity

73.3437

Polarizability

28.440718

Polar Surface Area

40.71

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4-(4-isopropylphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

IUPAC name

4-[4-(propan-2-yl)phenyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

Synonyms

4-(4-isopropylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

Names and Identifiers

Registration numbers

PubChem SID

162108225

PubChem CID

3116741

Registration numbers

Properties

Product Information

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119773