2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone

C15H11ClN2O — CID 4982645

IUPAC2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyZMPOFUBYVROQLI-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.64
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone

2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone (PubChem CID 4982645) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone
PubChem CID4982645
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyZMPOFUBYVROQLI-UHFFFAOYSA-N
XLogP3.64
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone (CID 4982645) is 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone is O=C(Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone?
The InChIKey is ZMPOFUBYVROQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone?
2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone has a molecular weight of 270.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 4982645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).