1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone

C17H16N2O — CID 82303742

IUPAC1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3ccc(C)c(C)c3)[nH]c2c1
InChIInChI=1S/C17H16N2O/c1-10-4-5-14(8-11(10)2)17-18-15-7-6-13(12(3)20)9-16(15)19-17/h4-9H,1-3H3,(H,18,19)
InChIKeyQIOVZZANGWRZKM-UHFFFAOYSA-N
MW264.33 g/mol
LogP4.05
Rot. Bonds2

About 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone

1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 82303742) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID82303742
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2nc(-c3ccc(C)c(C)c3)[nH]c2c1
InChIInChI=1S/C17H16N2O/c1-10-4-5-14(8-11(10)2)17-18-15-7-6-13(12(3)20)9-16(15)19-17/h4-9H,1-3H3,(H,18,19)
InChIKeyQIOVZZANGWRZKM-UHFFFAOYSA-N
XLogP4.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756456
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone (CID 82303742) is 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone is CC(=O)c1ccc2nc(-c3ccc(C)c(C)c3)[nH]c2c1.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is QIOVZZANGWRZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-10-4-5-14(8-11(10)2)17-18-15-7-6-13(12(3)20)9-16(15)19-17/h4-9H,1-3H3,(H,18,19).
What are the key properties of 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone?
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 82303742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).