5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide

C13H10BrN3O2S — CID 79964276

IUPAC5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc1Br
InChIInChI=1S/C13H10BrN3O2S/c1-6-4-10(20-11(6)14)12(18)15-7-2-3-8-9(5-7)17-13(19)16-8/h2-5H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyIJEGTVYSYVWCRQ-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.24
Rot. Bonds2

About 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide (PubChem CID 79964276) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
PubChem CID79964276
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc1Br
InChIInChI=1S/C13H10BrN3O2S/c1-6-4-10(20-11(6)14)12(18)15-7-2-3-8-9(5-7)17-13(19)16-8/h2-5H,1H3,(H,15,18)(H2,16,17,19)
InChIKeyIJEGTVYSYVWCRQ-UHFFFAOYSA-N
XLogP3.24
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1H-indazol-6-yl)-4-methylthiophene-2-carboxamide
CID 79964870
N-(4-amino-3-bromophenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 82862298
5-bromo-N-(3,4-difluorophenyl)-4-methylthiophene-2-carboxamide
CID 79934147
N-(5-acetamido-2-methylphenyl)-5-bromo-4-methylthiophene-2-carboxamide
CID 79916167
5-bromo-4-methyl-N-[4-(methylcarbamoylamino)phenyl]thiophene-2-carboxamide
CID 79959546
2-bromo-5-[(5-bromo-4-methylthiophene-2-carbonyl)amino]benzoic acid
CID 115295672
5-bromo-N-(3-hydroxyphenyl)-4-methylthiophene-2-carboxamide
CID 79989528
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
5-bromo-N-[4-(2-hydroxyethyl)phenyl]-4-methylthiophene-2-carboxamide
CID 79989970
methyl N-[3-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenyl]carbamate
CID 79917096
3-fluoro-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 9453257
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 4,5-dibromothiophene-2-carboxylate
CID 2552971

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide (CID 79964276) is 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
The InChIKey is IJEGTVYSYVWCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c1-6-4-10(20-11(6)14)12(18)15-7-2-3-8-9(5-7)17-13(19)16-8/h2-5H,1H3,(H,15,18)(H2,16,17,19).
What are the key properties of 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide has a molecular weight of 352.21 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 79964276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).