5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile

C24H22N4 — CID 67941598

IUPAC5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile
SMILESCCCCc1nc2ccncc2n1Cc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C24H22N4/c1-2-3-9-24-27-22-12-13-26-16-23(22)28(24)17-18-10-11-21(20(14-18)15-25)19-7-5-4-6-8-19/h4-8,10-14,16H,2-3,9,17H2,1H3
InChIKeyOXHUQSNWNZBEAK-UHFFFAOYSA-N
MW366.47 g/mol
LogP5.36
Rot. Bonds6

About 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile

5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile (PubChem CID 67941598) has the molecular formula C24H22N4 and a molecular weight of 366.47 g/mol. Its IUPAC name is 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile.

Molecular Properties

Compound Name5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile
PubChem CID67941598
Molecular FormulaC24H22N4
Molecular Weight366.47 g/mol
Exact Mass366.18
IUPAC Name5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile
SMILESCCCCc1nc2ccncc2n1Cc1ccc(-c2ccccc2)c(C#N)c1
InChIInChI=1S/C24H22N4/c1-2-3-9-24-27-22-12-13-26-16-23(22)28(24)17-18-10-11-21(20(14-18)15-25)19-7-5-4-6-8-19/h4-8,10-14,16H,2-3,9,17H2,1H3
InChIKeyOXHUQSNWNZBEAK-UHFFFAOYSA-N
XLogP5.36
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.47
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-butyl-7-(cyanomethyl)benzimidazol-1-yl]methyl]-2-phenylbenzonitrile
CID 19792198
5-[(2-butyl-4-hydroxyimidazol-1-yl)methyl]-2-phenylbenzonitrile
CID 174319947
2-[4-[(2-butyl-6-nitrobenzimidazol-1-yl)methyl]phenyl]benzonitrile
CID 10476679
2-[4-[(2-butylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoic acid
CID 67910451
2-[4-[(2-butyl-6-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943935
4-[4-[(4-methyl-2-propylbenzimidazol-1-yl)methyl]phenyl]pyridine-3-carbonitrile
CID 19889372
5-[[1-[(3-acetylphenyl)methyl]-4-butyl-2-methyl-6-oxopyrimidin-5-yl]methyl]-2-phenylbenzonitrile
CID 175265349
2-[4-[[2-butyl-7-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 19792172
5-[[6-(1-benzyl-5-bromobenzimidazol-2-yl)-4-methyl-2-propylbenzimidazol-1-yl]methyl]-2-phenylbenzonitrile
CID 174463529
5-[[6-(butanoylamino)-2-butylbenzimidazol-1-yl]methyl]-2-phenylbenzoic acid
CID 67864890
2-[4-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]phenyl]benzonitrile
CID 22627059
2-[4-[(2-propylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 67943643

Frequently Asked Questions

What is the IUPAC name of 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
The IUPAC name of 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile (CID 67941598) is 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile.
What is the SMILES notation for 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
The canonical SMILES for 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile is CCCCc1nc2ccncc2n1Cc1ccc(-c2ccccc2)c(C#N)c1.
What is the InChIKey of 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
The InChIKey is OXHUQSNWNZBEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4/c1-2-3-9-24-27-22-12-13-26-16-23(22)28(24)17-18-10-11-21(20(14-18)15-25)19-7-5-4-6-8-19/h4-8,10-14,16H,2-3,9,17H2,1H3.
What are the key properties of 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile?
5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile has a molecular weight of 366.47 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butylimidazo[4,5-c]pyridin-3-yl)methyl]-2-phenylbenzonitrile is sourced from PubChem (CID 67941598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).