4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one

C11H10N2O2S — CID 15567542

IUPAC4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
SMILESCSc1ccc(C(=O)c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)10(14)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15)
InChIKeyOCWMSYSCUSVGAG-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.66
Rot. Bonds3

About 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one

4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one (PubChem CID 15567542) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
PubChem CID15567542
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one
SMILESCSc1ccc(C(=O)c2c[nH]c(=O)[nH]2)cc1
InChIInChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)10(14)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15)
InChIKeyOCWMSYSCUSVGAG-UHFFFAOYSA-N
XLogP1.66
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one (CID 15567542) is 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one is CSc1ccc(C(=O)c2c[nH]c(=O)[nH]2)cc1.
What is the InChIKey of 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one?
The InChIKey is OCWMSYSCUSVGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-16-8-4-2-7(3-5-8)10(14)9-6-12-11(15)13-9/h2-6H,1H3,(H2,12,13,15).
What are the key properties of 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one?
4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one has a molecular weight of 234.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfanylbenzoyl)-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 15567542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).