3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile

C13H8N4 — CID 19864793

IUPAC3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc3ccncc3[nH]2)c1
InChIInChI=1S/C13H8N4/c14-7-9-2-1-3-10(6-9)13-16-11-4-5-15-8-12(11)17-13/h1-6,8H,(H,16,17)
InChIKeyCSXRVZBMDAWJRO-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.50
Rot. Bonds1

About 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile

3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile (PubChem CID 19864793) has the molecular formula C13H8N4 and a molecular weight of 220.24 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
PubChem CID19864793
Molecular FormulaC13H8N4
Molecular Weight220.24 g/mol
Exact Mass220.07
IUPAC Name3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2nc3ccncc3[nH]2)c1
InChIInChI=1S/C13H8N4/c14-7-9-2-1-3-10(6-9)13-16-11-4-5-15-8-12(11)17-13/h1-6,8H,(H,16,17)
InChIKeyCSXRVZBMDAWJRO-UHFFFAOYSA-N
XLogP2.50
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenoxy]acetonitrile
CID 19821941
3-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 24707129
2-(3-nitrophenyl)-3H-imidazo[4,5-c]pyridine
CID 14183090
3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
CID 168554018
3-(4-phenyl-1H-benzimidazol-2-yl)benzonitrile
CID 67701841
2-(6-bromonaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 115354156
methyl 3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]benzoate
CID 100957972
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
3-(4-amino-3-pyridinyl)benzonitrile
CID 79004011
1-(3-cyanophenyl)-3-[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]urea
CID 44525377
3-(6-amino-4-sulfanylidene-1H-1,3,5-triazin-2-yl)benzonitrile
CID 115279085
2-(3-bromo-5-chlorophenyl)-3H-imidazo[4,5-c]pyridine
CID 107939473

Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile?
The IUPAC name of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile (CID 19864793) is 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile?
The canonical SMILES for 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile is N#Cc1cccc(-c2nc3ccncc3[nH]2)c1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile?
The InChIKey is CSXRVZBMDAWJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4/c14-7-9-2-1-3-10(6-9)13-16-11-4-5-15-8-12(11)17-13/h1-6,8H,(H,16,17).
What are the key properties of 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile?
3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile has a molecular weight of 220.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]pyridin-2-yl)benzonitrile is sourced from PubChem (CID 19864793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).