3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile

C15H10Cl2N4 — CID 94749240

IUPAC3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile
SMILESN#CCCn1c(-c2ccncc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H10Cl2N4/c16-11-8-13-14(9-12(11)17)21(7-1-4-18)15(20-13)10-2-5-19-6-3-10/h2-3,5-6,8-9H,1,7H2
InChIKeyBVXUZQBQOFAFGZ-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.32
Rot. Bonds3

About 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile

3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile (PubChem CID 94749240) has the molecular formula C15H10Cl2N4 and a molecular weight of 317.18 g/mol. Its IUPAC name is 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile
PubChem CID94749240
Molecular FormulaC15H10Cl2N4
Molecular Weight317.18 g/mol
Exact Mass316.03
IUPAC Name3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile
SMILESN#CCCn1c(-c2ccncc2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C15H10Cl2N4/c16-11-8-13-14(9-12(11)17)21(7-1-4-18)15(20-13)10-2-5-19-6-3-10/h2-3,5-6,8-9H,1,7H2
InChIKeyBVXUZQBQOFAFGZ-UHFFFAOYSA-N
XLogP4.32
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 82145204
3-[2-(3,4-dichlorophenyl)benzimidazol-1-yl]propanenitrile
CID 94747257
3-(5,6-dichloro-2-propan-2-ylbenzimidazol-1-yl)propanenitrile
CID 82146003
3-[6-(4-fluorophenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propanenitrile
CID 94748714
3-[2-(3-chlorophenyl)benzimidazol-1-yl]propanenitrile
CID 82144803
2-(5,6-dichloro-2-pyridin-3-ylbenzimidazol-1-yl)ethanamine
CID 94749231
4-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]butanenitrile
CID 82150464
3-(5,6-dimethyl-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82145292
3-(5-nitro-2-phenylbenzimidazol-1-yl)propanenitrile;3-(6-nitro-2-phenylbenzimidazol-1-yl)propanenitrile
CID 158928546
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 94755758
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile?
The IUPAC name of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile (CID 94749240) is 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile.
What is the SMILES notation for 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile?
The canonical SMILES for 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile is N#CCCn1c(-c2ccncc2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile?
The InChIKey is BVXUZQBQOFAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4/c16-11-8-13-14(9-12(11)17)21(7-1-4-18)15(20-13)10-2-5-19-6-3-10/h2-3,5-6,8-9H,1,7H2.
What are the key properties of 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile?
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile has a molecular weight of 317.18 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propanenitrile is sourced from PubChem (CID 94749240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).