1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone

C15H10Cl2N2O — CID 143659491

IUPAC1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C15H10Cl2N2O/c1-8(20)9-5-6-12-13(7-9)19-15(18-12)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H,18,19)
InChIKeyXVGIUHGYPPPKIC-UHFFFAOYSA-N
MW305.16 g/mol
LogP4.74
Rot. Bonds2

About 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 143659491) has the molecular formula C15H10Cl2N2O and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID143659491
Molecular FormulaC15H10Cl2N2O
Molecular Weight305.16 g/mol
Exact Mass304.02
IUPAC Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C15H10Cl2N2O/c1-8(20)9-5-6-12-13(7-9)19-15(18-12)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H,18,19)
InChIKeyXVGIUHGYPPPKIC-UHFFFAOYSA-N
XLogP4.74
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
2-(2,6-dichlorophenyl)-N-[2-(2,6-dichlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965604
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
2-(2,6-dichlorophenyl)-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-[(1S)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 160994973
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(2,6-dichlorophenyl)-N-methyl-N-(3-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 143659642
2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]butanamide
CID 25066170
2-(2,6-dichlorophenyl)-6-fluoro-1H-benzimidazole
CID 60979200
2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid;4-methyl-1,3-thiazol-2-amine
CID 172685279
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-3-methylbutanamide
CID 25066171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone (CID 143659491) is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone is CC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is XVGIUHGYPPPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O/c1-8(20)9-5-6-12-13(7-9)19-15(18-12)14-10(16)3-2-4-11(14)17/h2-7H,1H3,(H,18,19).
What are the key properties of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 305.16 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 143659491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).