6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile

C15H9ClF2N4O — CID 155154540

IUPAC6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(Cl)nc3ccc(OC(F)F)cc32)nc1
InChIInChI=1S/C15H9ClF2N4O/c16-14-21-12-4-3-11(23-15(17)18)5-13(12)22(14)8-10-2-1-9(6-19)7-20-10/h1-5,7,15H,8H2
InChIKeyWYHXWAGKWOQVCW-UHFFFAOYSA-N
MW334.71 g/mol
LogP3.61
Rot. Bonds4

About 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile

6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 155154540) has the molecular formula C15H9ClF2N4O and a molecular weight of 334.71 g/mol. Its IUPAC name is 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID155154540
Molecular FormulaC15H9ClF2N4O
Molecular Weight334.71 g/mol
Exact Mass334.04
IUPAC Name6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2c(Cl)nc3ccc(OC(F)F)cc32)nc1
InChIInChI=1S/C15H9ClF2N4O/c16-14-21-12-4-3-11(23-15(17)18)5-13(12)22(14)8-10-2-1-9(6-19)7-20-10/h1-5,7,15H,8H2
InChIKeyWYHXWAGKWOQVCW-UHFFFAOYSA-N
XLogP3.61
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.71
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile 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

4-[(2-chloro-6-ethoxybenzimidazol-1-yl)methyl]benzonitrile
CID 155143110
6-[(2-chloro-4-methylbenzimidazol-1-yl)methyl]pyridine-3-carbonitrile
CID 155154571
6-[[2-(3-aminopiperidin-1-yl)-6-methoxybenzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 155143219
2-[(3R)-3-amino-4,4-difluoropiperidin-1-yl]-3-[(5-cyano-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 154635697
6-(chloromethyl)pyridine-3-carbonitrile
CID 14980535
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-5-chloro-6-(trifluoromethyl)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 154635700
6-(propan-2-yloxymethyl)pyridine-3-carbonitrile
CID 58495606
(3S)-3-amino-1-[1-[(5-cyano-2-pyridinyl)methyl]benzimidazol-2-yl]piperidine-3-carboxamide
CID 154635625
2-amino-1-[(5-bromo-2-pyridinyl)methyl]benzimidazole-5-carbonitrile
CID 170008421
2-(1-chloroethyl)-3-(2-methoxypropyl)benzimidazole-5-carbonitrile
CID 102699466
6-[[2-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]benzimidazol-1-yl]methyl]pyridine-3-carbonitrile
CID 138562492
2-(1-chloroethyl)-3-ethylbenzimidazole-5-carbonitrile
CID 104715265

Frequently Asked Questions

What is the IUPAC name of 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile (CID 155154540) is 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2c(Cl)nc3ccc(OC(F)F)cc32)nc1.
What is the InChIKey of 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is WYHXWAGKWOQVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2N4O/c16-14-21-12-4-3-11(23-15(17)18)5-13(12)22(14)8-10-2-1-9(6-19)7-20-10/h1-5,7,15H,8H2.
What are the key properties of 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 334.71 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-chloro-6-(difluoromethoxy)benzimidazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 155154540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).