4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one

C13H12N2OS — CID 117209326

IUPAC4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(Cc3cccs3)c12
InChIInChI=1S/C13H12N2OS/c1-9-4-2-6-11-12(9)15(13(16)14-11)8-10-5-3-7-17-10/h2-7H,8H2,1H3,(H,14,16)
InChIKeyCURIHDACAVIGKB-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.75
Rot. Bonds2

About 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one

4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one (PubChem CID 117209326) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one
PubChem CID117209326
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one
SMILESCc1cccc2[nH]c(=O)n(Cc3cccs3)c12
InChIInChI=1S/C13H12N2OS/c1-9-4-2-6-11-12(9)15(13(16)14-11)8-10-5-3-7-17-10/h2-7H,8H2,1H3,(H,14,16)
InChIKeyCURIHDACAVIGKB-UHFFFAOYSA-N
XLogP2.75
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-(2-thiophen-2-ylethyl)-1H-benzimidazole-2-thione
CID 115551591
3-[(2-chlorophenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209046
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
6-chloro-5-propyl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 113404475
4-methyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117208652
3-[(1,1-dioxothiolan-2-yl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117208821
4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-benzimidazole-2-thione
CID 115551790
2-sulfanylidene-3-(thiophen-2-ylmethyl)-1H-thieno[3,2-d]pyrimidin-4-one
CID 43396202
diethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3,4-dicarboxylate
CID 170871938
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
6-hydroxy-1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)pyrimidine-2,4-dione
CID 2925694
3-[(5-bromothiophen-2-yl)methyl]-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 115931682

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one (CID 117209326) is 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one is Cc1cccc2[nH]c(=O)n(Cc3cccs3)c12.
What is the InChIKey of 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one?
The InChIKey is CURIHDACAVIGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-4-2-6-11-12(9)15(13(16)14-11)8-10-5-3-7-17-10/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one?
4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one has a molecular weight of 244.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(thiophen-2-ylmethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117209326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).