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

C15H11BrN2O — CID 2772687

IUPAC2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/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
InChIKeyUSRWELRPHGNMMU-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.68
Rot. Bonds3

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

2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone (PubChem CID 2772687) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone
PubChem CID2772687
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone
SMILESO=C(Cn1cnc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/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
InChIKeyUSRWELRPHGNMMU-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(Benzimidazol-1-Yl)ethanoyl]benzenesulfonamide
CID 127045752
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
4-(1H-1,3-benzodiazol-1-yl)benzaldehyde
CID 737733
2-(1H-Benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
CID 2392375
1-Phenylbenzimidazole deriv. 72
CID 5328471
carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 3
CID 127047625
(1-methyl-1H-benzimidazol-2-yl)(phenyl)methanone
CID 677925
1-(3-Formylphenyl)benzimidazole
CID 5328446
1-(3-bromophenyl)-2-(2-((3-hydroxypropyl)amino)-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
CID 2908636
2-(2-Methylbenzimidazol-1-yl)-1-phenylethanone
CID 417677
N-(1-prop-2-enylbenzimidazol-2-yl)benzamide
CID 745085
1-(2-bromobenzoyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 1507357

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone (CID 2772687) is 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone is O=C(Cn1cnc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone?
The InChIKey is USRWELRPHGNMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/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-bromophenyl)ethanone?
2-(benzimidazol-1-yl)-1-(4-bromophenyl)ethanone has a molecular weight of 315.17 g/mol, XLogP of 3.68, 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-bromophenyl)ethanone is sourced from PubChem (CID 2772687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).