2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile

C32H28N4O2 — CID 10413651

IUPAC2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
SMILESCCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C32H28N4O2/c1-2-3-13-30-34-28-18-19-35(22-29(37)25-9-5-4-6-10-25)32(38)31(28)36(30)21-23-14-16-24(17-15-23)27-12-8-7-11-26(27)20-33/h4-12,14-19H,2-3,13,21-22H2,1H3
InChIKeyGKJMXQCQLIBCFW-UHFFFAOYSA-N
MW500.60 g/mol
LogP6.01
Rot. Bonds9

About 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile

2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile (PubChem CID 10413651) has the molecular formula C32H28N4O2 and a molecular weight of 500.60 g/mol. Its IUPAC name is 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
PubChem CID10413651
Molecular FormulaC32H28N4O2
Molecular Weight500.60 g/mol
Exact Mass500.22
IUPAC Name2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
SMILESCCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C32H28N4O2/c1-2-3-13-30-34-28-18-19-35(22-29(37)25-9-5-4-6-10-25)32(38)31(28)36(30)21-23-14-16-24(17-15-23)27-12-8-7-11-26(27)20-33/h4-12,14-19H,2-3,13,21-22H2,1H3
InChIKeyGKJMXQCQLIBCFW-UHFFFAOYSA-N
XLogP6.01
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile with MolForge

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Related Compounds

2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid
CID 11743965
2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-diphenylacetamide
CID 10099966
2-[4-[[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]benzonitrile
CID 10348085
2-[4-[[2-butyl-5-(cyanomethyl)-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]phenyl]benzonitrile
CID 19349852
2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
2-[4-[[2-butyl-7-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 19792172
3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
CID 19349858
2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]-3-fluorophenyl]benzenesulfonamide
CID 10578989
2-[[2-butyl-3-[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 154493106
2-butyl-5-(2-oxo-2-piperidin-1-ylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
CID 10099064
2-[[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 10460419
2-[4-[(5-bromo-2-butyl-4-ethyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 57460095

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile?
The IUPAC name of 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile (CID 10413651) is 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile.
What is the SMILES notation for 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile?
The canonical SMILES for 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile is CCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile?
The InChIKey is GKJMXQCQLIBCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N4O2/c1-2-3-13-30-34-28-18-19-35(22-29(37)25-9-5-4-6-10-25)32(38)31(28)36(30)21-23-14-16-24(17-15-23)27-12-8-7-11-26(27)20-33/h4-12,14-19H,2-3,13,21-22H2,1H3.
What are the key properties of 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile?
2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile has a molecular weight of 500.60 g/mol, XLogP of 6.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile is sourced from PubChem (CID 10413651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).