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

C15H11ClN2O — CID 2992089

IUPAC2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2
InChIKeyJSFVJYUMLBGVLC-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.57
Rot. Bonds3

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

2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone (PubChem CID 2992089) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
PubChem CID2992089
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2
InChIKeyJSFVJYUMLBGVLC-UHFFFAOYSA-N
XLogP3.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone (CID 2992089) is 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone is O=C(Cn1cnc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone?
The InChIKey is JSFVJYUMLBGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2.
What are the key properties of 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone?
2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone has a molecular weight of 270.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 2992089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).