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

C14H10BrN3O — CID 24535711

IUPACN-(benzimidazol-1-yl)-2-bromobenzamide
SMILESO=C(Nn1cnc2ccccc21)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c15-11-6-2-1-5-10(11)14(19)17-18-9-16-12-7-3-4-8-13(12)18/h1-9H,(H,17,19)
InChIKeyRPQSXMOMGFIXRQ-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.18
Rot. Bonds2

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

N-(benzimidazol-1-yl)-2-bromobenzamide (PubChem CID 24535711) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-2-bromobenzamide
PubChem CID24535711
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC NameN-(benzimidazol-1-yl)-2-bromobenzamide
SMILESO=C(Nn1cnc2ccccc21)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c15-11-6-2-1-5-10(11)14(19)17-18-9-16-12-7-3-4-8-13(12)18/h1-9H,(H,17,19)
InChIKeyRPQSXMOMGFIXRQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.92 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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(benzimidazol-1-yl)-2,4-dichlorobenzamide
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N-(benzimidazol-1-yl)acetamide
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N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
N-(benzimidazol-1-yl)-2,4-dichloro-5-sulfamoylbenzamide
CID 138377179
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N-(benzimidazol-1-yl)-3-oxobutanamide
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N-(benzimidazol-1-yl)-6-bromo-1H-indole-2-carboxamide
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N-[3-(benzimidazol-1-ylamino)-3-oxopropyl]-2-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-2-bromobenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-2-bromobenzamide (CID 24535711) is N-(benzimidazol-1-yl)-2-bromobenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-2-bromobenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-2-bromobenzamide is O=C(Nn1cnc2ccccc21)c1ccccc1Br.
What is the InChIKey of N-(benzimidazol-1-yl)-2-bromobenzamide?
The InChIKey is RPQSXMOMGFIXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-11-6-2-1-5-10(11)14(19)17-18-9-16-12-7-3-4-8-13(12)18/h1-9H,(H,17,19).
What are the key properties of N-(benzimidazol-1-yl)-2-bromobenzamide?
N-(benzimidazol-1-yl)-2-bromobenzamide has a molecular weight of 316.16 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-2-bromobenzamide is sourced from PubChem (CID 24535711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).