[2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone

C19H12ClN3O — CID 42598712

IUPAC[2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H12ClN3O/c20-15-9-7-13(8-10-15)18-22-16-5-1-2-6-17(16)23(18)19(24)14-4-3-11-21-12-14/h1-12H
InChIKeyYKQOXJGNUUJMKS-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.44
Rot. Bonds2

About [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone

[2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 42598712) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
PubChem CID42598712
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name[2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H12ClN3O/c20-15-9-7-13(8-10-15)18-22-16-5-1-2-6-17(16)23(18)19(24)14-4-3-11-21-12-14/h1-12H
InChIKeyYKQOXJGNUUJMKS-UHFFFAOYSA-N
XLogP4.44
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone (CID 42598712) is [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)n1c(-c2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is YKQOXJGNUUJMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-15-9-7-13(8-10-15)18-22-16-5-1-2-6-17(16)23(18)19(24)14-4-3-11-21-12-14/h1-12H.
What are the key properties of [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone?
[2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 333.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)benzimidazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 42598712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).