2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone

C17H15BrN2O — CID 4631756

IUPAC2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone
SMILESCc1cc2ncn(C(=O)Cc3ccc(Br)cc3)c2cc1C
InChIInChI=1S/C17H15BrN2O/c1-11-7-15-16(8-12(11)2)20(10-19-15)17(21)9-13-3-5-14(18)6-4-13/h3-8,10H,9H2,1-2H3
InChIKeyXFDHIOUCIZKEBI-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.30
Rot. Bonds2

About 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone

2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone (PubChem CID 4631756) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone
PubChem CID4631756
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone
SMILESCc1cc2ncn(C(=O)Cc3ccc(Br)cc3)c2cc1C
InChIInChI=1S/C17H15BrN2O/c1-11-7-15-16(8-12(11)2)20(10-19-15)17(21)9-13-3-5-14(18)6-4-13/h3-8,10H,9H2,1-2H3
InChIKeyXFDHIOUCIZKEBI-UHFFFAOYSA-N
XLogP4.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dimethylbenzimidazol-1-yl)-2-(4-fluorophenyl)ethanone
CID 700936
1-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-one
CID 4635768
ethyl 2-[4-(5-bromobenzimidazol-1-yl)phenyl]acetate
CID 67021635
[(2S)-1-(4-bromophenoxy)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-yl] acetate
CID 2197322
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)benzoic acid
CID 43364788
azepan-1-yl-(5,6-dimethylbenzimidazol-1-yl)methanone
CID 2928818
N-(2,6-dibromo-4-methylphenyl)-2-(5,6-dimethylbenzimidazol-1-yl)acetamide
CID 26058601
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
N-(2-amino-4-methylphenyl)-7-(5-bromobenzimidazol-1-yl)-7-oxoheptanamide
CID 71483977
1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole
CID 115582513
(4S)-4-(5,6-dimethylbenzimidazole-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9389364
1-(4-bromo-2-nitrophenyl)-5,6-dimethylbenzimidazole
CID 60646142

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone (CID 4631756) is 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone is Cc1cc2ncn(C(=O)Cc3ccc(Br)cc3)c2cc1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone?
The InChIKey is XFDHIOUCIZKEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-11-7-15-16(8-12(11)2)20(10-19-15)17(21)9-13-3-5-14(18)6-4-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone?
2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone has a molecular weight of 343.22 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 4631756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).