2-bromo-3H-benzimidazole-5-carboxamide

C8H6BrN3O — CID 130960891

IUPAC2-bromo-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(Br)[nH]c2c1
InChIInChI=1S/C8H6BrN3O/c9-8-11-5-2-1-4(7(10)13)3-6(5)12-8/h1-3H,(H2,10,13)(H,11,12)
InChIKeyISVRHNVOEBICED-UHFFFAOYSA-N
MW240.06 g/mol
LogP1.42
Rot. Bonds1

About 2-bromo-3H-benzimidazole-5-carboxamide

2-bromo-3H-benzimidazole-5-carboxamide (PubChem CID 130960891) has the molecular formula C8H6BrN3O and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-bromo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-3H-benzimidazole-5-carboxamide
PubChem CID130960891
Molecular FormulaC8H6BrN3O
Molecular Weight240.06 g/mol
Exact Mass238.97
IUPAC Name2-bromo-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(Br)[nH]c2c1
InChIInChI=1S/C8H6BrN3O/c9-8-11-5-2-1-4(7(10)13)3-6(5)12-8/h1-3H,(H2,10,13)(H,11,12)
InChIKeyISVRHNVOEBICED-UHFFFAOYSA-N
XLogP1.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174840846
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CID 97036463
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
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2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
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2-(2-oxo-3-phenylimidazolidin-1-yl)-3H-benzimidazole-5-carboxamide
CID 58188619
2-[4-[(4-chlorophenyl)-hydroxymethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 11394800
[amino-[2-[[6-[amino(azaniumylidene)methyl]-1H-benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]methylidene]azanium
CID 2386
3-methylcinnoline-6-carboxamide
CID 175807286
2-[(E)-3-(2,5-dihydroxy-3,4,6-trimethylphenyl)prop-2-enyl]-3H-benzimidazole-5-carboxamide
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2-[C-[(Z)-3-(3-bromophenyl)-2-hydroxybut-2-enyl]-N-methylcarbonimidoyl]-3H-benzimidazole-5-carboxamide;ethane
CID 143898772
2-[4-(1,3-benzodioxole-5-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 11315141

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-bromo-3H-benzimidazole-5-carboxamide (CID 130960891) is 2-bromo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-bromo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-bromo-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-3H-benzimidazole-5-carboxamide?
The InChIKey is ISVRHNVOEBICED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O/c9-8-11-5-2-1-4(7(10)13)3-6(5)12-8/h1-3H,(H2,10,13)(H,11,12).
What are the key properties of 2-bromo-3H-benzimidazole-5-carboxamide?
2-bromo-3H-benzimidazole-5-carboxamide has a molecular weight of 240.06 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 130960891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).