N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide

C13H10BrN3OS — CID 79934420

IUPACN-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3[nH]2)sc1Br
InChIInChI=1S/C13H10BrN3OS/c1-7-6-10(19-11(7)14)12(18)17-13-15-8-4-2-3-5-9(8)16-13/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyUEHQCYAQLIVTLK-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.95
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide

N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide (PubChem CID 79934420) has the molecular formula C13H10BrN3OS and a molecular weight of 336.21 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
PubChem CID79934420
Molecular FormulaC13H10BrN3OS
Molecular Weight336.21 g/mol
Exact Mass334.97
IUPAC NameN-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccccc3[nH]2)sc1Br
InChIInChI=1S/C13H10BrN3OS/c1-7-6-10(19-11(7)14)12(18)17-13-15-8-4-2-3-5-9(8)16-13/h2-6H,1H3,(H2,15,16,17,18)
InChIKeyUEHQCYAQLIVTLK-UHFFFAOYSA-N
XLogP3.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-5-bromo-4-methylthiophene-2-carboxamide
CID 79937377
N-(1H-benzimidazol-2-yl)-1,2-thiazole-5-carboxamide
CID 21452404
N-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 35808128
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
CID 106505887
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-(1H-benzimidazol-2-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 43077303
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
5-bromo-4-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)thiophene-2-carboxamide
CID 79964883
N-(1H-benzimidazol-2-yl)-6-(3-bromophenyl)-2-methylpyridine-3-carboxamide
CID 27649715

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide (CID 79934420) is N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2nc3ccccc3[nH]2)sc1Br.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide?
The InChIKey is UEHQCYAQLIVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3OS/c1-7-6-10(19-11(7)14)12(18)17-13-15-8-4-2-3-5-9(8)16-13/h2-6H,1H3,(H2,15,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide?
N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide has a molecular weight of 336.21 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-bromo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79934420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).