2-(benzimidazol-1-yl)-5-bromobenzamide

C14H10BrN3O — CID 114896304

IUPAC2-(benzimidazol-1-yl)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1-n1cnc2ccccc21
InChIInChI=1S/C14H10BrN3O/c15-9-5-6-12(10(7-9)14(16)19)18-8-17-11-3-1-2-4-13(11)18/h1-8H,(H2,16,19)
InChIKeyYYWOHJQQJQQMFG-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.89
Rot. Bonds2

About 2-(benzimidazol-1-yl)-5-bromobenzamide

2-(benzimidazol-1-yl)-5-bromobenzamide (PubChem CID 114896304) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-5-bromobenzamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-5-bromobenzamide
PubChem CID114896304
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name2-(benzimidazol-1-yl)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1-n1cnc2ccccc21
InChIInChI=1S/C14H10BrN3O/c15-9-5-6-12(10(7-9)14(16)19)18-8-17-11-3-1-2-4-13(11)18/h1-8H,(H2,16,19)
InChIKeyYYWOHJQQJQQMFG-UHFFFAOYSA-N
XLogP2.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzimidazol-1-yl)-4-bromobenzamide
CID 114907649
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369
2-(3-aminopyrazol-1-yl)-5-bromobenzamide
CID 114895160
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
2-(benzotriazol-1-yl)-5-bromobenzenecarbothioamide
CID 114892143
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
1-(2-bromo-4-propan-2-ylphenyl)benzimidazole
CID 174453392
3-(benzimidazol-1-yl)-2-methylbenzoic acid
CID 70364781

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-5-bromobenzamide?
The IUPAC name of 2-(benzimidazol-1-yl)-5-bromobenzamide (CID 114896304) is 2-(benzimidazol-1-yl)-5-bromobenzamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-5-bromobenzamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-5-bromobenzamide is NC(=O)c1cc(Br)ccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-5-bromobenzamide?
The InChIKey is YYWOHJQQJQQMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-9-5-6-12(10(7-9)14(16)19)18-8-17-11-3-1-2-4-13(11)18/h1-8H,(H2,16,19).
What are the key properties of 2-(benzimidazol-1-yl)-5-bromobenzamide?
2-(benzimidazol-1-yl)-5-bromobenzamide has a molecular weight of 316.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-5-bromobenzamide is sourced from PubChem (CID 114896304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).