1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one

C11H12N2O2S — CID 80581416

IUPAC1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one
SMILESCc1ccc(C(=O)Cn2ccn(C)c2=O)s1
InChIInChI=1S/C11H12N2O2S/c1-8-3-4-10(16-8)9(14)7-13-6-5-12(2)11(13)15/h3-6H,7H2,1-2H3
InChIKeyZATDDTYMOSQUSU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.44
Rot. Bonds3

About 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one

1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one (PubChem CID 80581416) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one
PubChem CID80581416
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one
SMILESCc1ccc(C(=O)Cn2ccn(C)c2=O)s1
InChIInChI=1S/C11H12N2O2S/c1-8-3-4-10(16-8)9(14)7-13-6-5-12(2)11(13)15/h3-6H,7H2,1-2H3
InChIKeyZATDDTYMOSQUSU-UHFFFAOYSA-N
XLogP1.44
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrrole-2-carbonitrile
CID 114651413
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridin-2-one
CID 81320327
2-(4-methylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 43228150
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 16617153
2-[(E)-1,2-difluoro-2-(5-methylthiophen-2-yl)ethenyl]-5-methylthiophene
CID 10912143
2-(4,4-diethylpiperidin-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 55221827
4-hydroxy-1-(5-methylthiophen-2-yl)butan-1-one
CID 11819730
trifluoromethyl 5-methylthiophene-2-carboxylate
CID 130678716
tert-butyl 2-(3-methyl-2-oxoimidazol-1-yl)acetate
CID 68705869

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one (CID 80581416) is 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one is Cc1ccc(C(=O)Cn2ccn(C)c2=O)s1.
What is the InChIKey of 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one?
The InChIKey is ZATDDTYMOSQUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-3-4-10(16-8)9(14)7-13-6-5-12(2)11(13)15/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one?
1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one has a molecular weight of 236.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazol-2-one is sourced from PubChem (CID 80581416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).