5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

C13H9BrN2O2S — CID 62381368

IUPAC5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccsc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H9BrN2O2S/c1-6-2-3-19-12(6)11(17)7-4-9-10(5-8(7)14)16-13(18)15-9/h2-5H,1H3,(H2,15,16,18)
InChIKeyYEMYLWUYSJKRMM-UHFFFAOYSA-N
MW337.20 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 62381368) has the molecular formula C13H9BrN2O2S and a molecular weight of 337.20 g/mol. Its IUPAC name is 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID62381368
Molecular FormulaC13H9BrN2O2S
Molecular Weight337.20 g/mol
Exact Mass335.96
IUPAC Name5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccsc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H9BrN2O2S/c1-6-2-3-19-12(6)11(17)7-4-9-10(5-8(7)14)16-13(18)15-9/h2-5H,1H3,(H2,15,16,18)
InChIKeyYEMYLWUYSJKRMM-UHFFFAOYSA-N
XLogP3.22
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62380081
5-bromo-6-(2,5-dimethylfuran-3-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 62381370
5-bromo-6-(3-chloro-2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107096175
(2,5-dimethylphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462518
5-bromo-6-[methylamino-(3-methylthiophen-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62375397
5-bromo-6-(2,2,3,3-tetramethylcyclopropanecarbonyl)-1,3-dihydrobenzimidazol-2-one
CID 66475525
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
(5-amino-1H-pyrazol-4-yl)-(3-methylthiophen-2-yl)methanone
CID 79992375
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
4-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-oxobutanoic acid
CID 62381373
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 62381368) is 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is Cc1ccsc1C(=O)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YEMYLWUYSJKRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2S/c1-6-2-3-19-12(6)11(17)7-4-9-10(5-8(7)14)16-13(18)15-9/h2-5H,1H3,(H2,15,16,18).
What are the key properties of 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 337.20 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62381368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).