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

C15H11BrN2O — CID 2392375

IUPAC2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyYHPOVKCXHPJISA-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.75
Rot. Bonds3

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

2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone (PubChem CID 2392375) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
PubChem CID2392375
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
SMILESO=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18)
InChIKeyYHPOVKCXHPJISA-UHFFFAOYSA-N
XLogP3.75
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone (CID 2392375) is 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone is O=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone?
The InChIKey is YHPOVKCXHPJISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-11-7-5-10(6-8-11)14(19)9-15-17-12-3-1-2-4-13(12)18-15/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone?
2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone has a molecular weight of 315.17 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethanone is sourced from PubChem (CID 2392375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).