1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one

C11H13N3OS — CID 10988228

IUPAC1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one
SMILESCSC1=NC(C)C(=O)N1Nc1ccccc1
InChIInChI=1S/C11H13N3OS/c1-8-10(15)14(11(12-8)16-2)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyHEPOYJDLMXDNLB-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.96
Rot. Bonds2

About 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one

1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one (PubChem CID 10988228) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one
PubChem CID10988228
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one
SMILESCSC1=NC(C)C(=O)N1Nc1ccccc1
InChIInChI=1S/C11H13N3OS/c1-8-10(15)14(11(12-8)16-2)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3
InChIKeyHEPOYJDLMXDNLB-UHFFFAOYSA-N
XLogP1.96
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-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 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one?
The IUPAC name of 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one (CID 10988228) is 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one.
What is the SMILES notation for 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one?
The canonical SMILES for 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one is CSC1=NC(C)C(=O)N1Nc1ccccc1.
What is the InChIKey of 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one?
The InChIKey is HEPOYJDLMXDNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-10(15)14(11(12-8)16-2)13-9-6-4-3-5-7-9/h3-8,13H,1-2H3.
What are the key properties of 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one?
1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one has a molecular weight of 235.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-4-methyl-2-methylsulfanyl-4H-imidazol-5-one is sourced from PubChem (CID 10988228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).