5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

C13H9ClN2O2S — CID 103400340

IUPAC5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1csc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1Cl
InChIInChI=1S/C13H9ClN2O2S/c1-6-5-19-12(10(6)14)11(17)7-2-3-8-9(4-7)16-13(18)15-8/h2-5H,1H3,(H2,15,16,18)
InChIKeyKRDMUASAIUCGHC-UHFFFAOYSA-N
MW292.75 g/mol
LogP3.11
Rot. Bonds2

About 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one

5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 103400340) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID103400340
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC Name5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1csc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1Cl
InChIInChI=1S/C13H9ClN2O2S/c1-6-5-19-12(10(6)14)11(17)7-2-3-8-9(4-7)16-13(18)15-8/h2-5H,1H3,(H2,15,16,18)
InChIKeyKRDMUASAIUCGHC-UHFFFAOYSA-N
XLogP3.11
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
5-[(3-chloro-4-methylthiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 103404288
6-(3-chloro-4-methylthiophene-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103400467
(3-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 103400344
5-benzoyl-1,3-dihydrobenzimidazol-2-one
CID 854379
5-(2-bromo-3-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 107981626
5-(5-chloro-2-fluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338645
(3-chloro-4-methylthiophen-2-yl)-quinolin-3-ylmethanone
CID 103407440
5-[4-(methylamino)benzoyl]-1,3-dihydrobenzimidazol-2-one
CID 116917457
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
5-(3,4-difluorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 43338650
5-(2-amino-3-chlorobenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 115549761

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one (CID 103400340) is 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is Cc1csc(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KRDMUASAIUCGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-6-5-19-12(10(6)14)11(17)7-2-3-8-9(4-7)16-13(18)15-8/h2-5H,1H3,(H2,15,16,18).
What are the key properties of 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one?
5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 292.75 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophene-2-carbonyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103400340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).