2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile

C15H9ClFN3 — CID 82879135

IUPAC2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccc(F)c(Cl)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H9ClFN3/c1-20-14-5-2-9(8-18)6-13(14)19-15(20)10-3-4-12(17)11(16)7-10/h2-7H,1H3
InChIKeyZSANWPVLNVKYFL-UHFFFAOYSA-N
MW285.71 g/mol
LogP3.90
Rot. Bonds1

About 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile

2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile (PubChem CID 82879135) has the molecular formula C15H9ClFN3 and a molecular weight of 285.71 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
PubChem CID82879135
Molecular FormulaC15H9ClFN3
Molecular Weight285.71 g/mol
Exact Mass285.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccc(F)c(Cl)c2)nc2cc(C#N)ccc21
InChIInChI=1S/C15H9ClFN3/c1-20-14-5-2-9(8-18)6-13(14)19-15(20)10-3-4-12(17)11(16)7-10/h2-7H,1H3
InChIKeyZSANWPVLNVKYFL-UHFFFAOYSA-N
XLogP3.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.71
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65035579
2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
2-(3-bromo-5-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 107941806
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
CID 65035369
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
[2-(3,4-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65038170
2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
CID 65035683

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile (CID 82879135) is 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile is Cn1c(-c2ccc(F)c(Cl)c2)nc2cc(C#N)ccc21.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile?
The InChIKey is ZSANWPVLNVKYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFN3/c1-20-14-5-2-9(8-18)6-13(14)19-15(20)10-3-4-12(17)11(16)7-10/h2-7H,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile?
2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile has a molecular weight of 285.71 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 82879135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).