N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide

C20H14BrN3O — CID 46688452

IUPACN-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1Br
InChIInChI=1S/C20H14BrN3O/c21-17-6-2-1-5-16(17)20(25)23-14-9-11-15(12-10-14)24-13-22-18-7-3-4-8-19(18)24/h1-13H,(H,23,25)
InChIKeyCPFHQCCUBSAXTI-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.04
Rot. Bonds3

About N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide

N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide (PubChem CID 46688452) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide.

Molecular Properties

Compound NameN-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
PubChem CID46688452
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC NameN-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
SMILESO=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1Br
InChIInChI=1S/C20H14BrN3O/c21-17-6-2-1-5-16(17)20(25)23-14-9-11-15(12-10-14)24-13-22-18-7-3-4-8-19(18)24/h1-13H,(H,23,25)
InChIKeyCPFHQCCUBSAXTI-UHFFFAOYSA-N
XLogP5.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
N-[4-(benzimidazol-1-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78803455
methyl 2-[2-[[4-(benzimidazol-1-yl)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 60528401
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-(benzimidazol-1-yl)-2-bromobenzamide
CID 24535711
2-bromo-N-(4-imidazol-1-ylphenyl)benzamide
CID 37239314
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
N-[4-(benzimidazol-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 17487112
(Z)-N-[4-(benzimidazol-1-yl)phenyl]-2-methylpent-2-enamide
CID 60553883
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide?
The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide (CID 46688452) is N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide.
What is the SMILES notation for N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide?
The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide is O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccccc1Br.
What is the InChIKey of N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide?
The InChIKey is CPFHQCCUBSAXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-17-6-2-1-5-16(17)20(25)23-14-9-11-15(12-10-14)24-13-22-18-7-3-4-8-19(18)24/h1-13H,(H,23,25).
What are the key properties of N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide?
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide has a molecular weight of 392.26 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide is sourced from PubChem (CID 46688452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).