2-bromo-N-(4-imidazol-1-ylphenyl)benzamide

C16H12BrN3O — CID 37239314

IUPAC2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1Br
InChIInChI=1S/C16H12BrN3O/c17-15-4-2-1-3-14(15)16(21)19-12-5-7-13(8-6-12)20-10-9-18-11-20/h1-11H,(H,19,21)
InChIKeyVBDDNKUOCMRIRQ-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.89
Rot. Bonds3

About 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide

2-bromo-N-(4-imidazol-1-ylphenyl)benzamide (PubChem CID 37239314) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
PubChem CID37239314
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1Br
InChIInChI=1S/C16H12BrN3O/c17-15-4-2-1-3-14(15)16(21)19-12-5-7-13(8-6-12)20-10-9-18-11-20/h1-11H,(H,19,21)
InChIKeyVBDDNKUOCMRIRQ-UHFFFAOYSA-N
XLogP3.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(4-imidazol-1-ylphenoxy)butyl]benzamide
CID 67693712
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CID 31409773
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
2-[(4-fluorophenyl)methoxy]-N-(4-imidazol-1-ylphenyl)benzamide
CID 37187296
2-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]benzoic acid
CID 56762074
1-(2-fluorophenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-4-carboxamide
CID 37186741
N-(4-imidazol-1-ylphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 22249186
3-[(4-imidazol-1-ylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 39035583
2-bromo-N-(4-morpholin-4-ylphenyl)benzamide
CID 1181771
N-(4-imidazol-1-ylphenyl)-1-methyltriazole-4-carboxamide
CID 110471581
3-amino-N-(4-imidazol-1-ylphenyl)pyrazine-2-carboxamide
CID 31410270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide?
The IUPAC name of 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide (CID 37239314) is 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide?
The canonical SMILES for 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide is O=C(Nc1ccc(-n2ccnc2)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide?
The InChIKey is VBDDNKUOCMRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-15-4-2-1-3-14(15)16(21)19-12-5-7-13(8-6-12)20-10-9-18-11-20/h1-11H,(H,19,21).
What are the key properties of 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide?
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide has a molecular weight of 342.20 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-imidazol-1-ylphenyl)benzamide is sourced from PubChem (CID 37239314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).