1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one

C20H16N2OS — CID 69261001

IUPAC1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one
SMILESCN1C(=O)C(c2ccsc2)N=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H16N2OS/c1-22-19(21-18(20(22)23)17-10-11-24-13-17)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-13,18H,1H3
InChIKeyRUXYWWRJEOPAPM-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.38
Rot. Bonds3

About 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one

1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one (PubChem CID 69261001) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one
PubChem CID69261001
Molecular FormulaC20H16N2OS
Molecular Weight332.43 g/mol
Exact Mass332.10
IUPAC Name1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one
SMILESCN1C(=O)C(c2ccsc2)N=C1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C20H16N2OS/c1-22-19(21-18(20(22)23)17-10-11-24-13-17)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-13,18H,1H3
InChIKeyRUXYWWRJEOPAPM-UHFFFAOYSA-N
XLogP4.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-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-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one?
The IUPAC name of 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one (CID 69261001) is 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one.
What is the SMILES notation for 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one?
The canonical SMILES for 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one is CN1C(=O)C(c2ccsc2)N=C1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one?
The InChIKey is RUXYWWRJEOPAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-22-19(21-18(20(22)23)17-10-11-24-13-17)16-9-5-8-15(12-16)14-6-3-2-4-7-14/h2-13,18H,1H3.
What are the key properties of 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one?
1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one has a molecular weight of 332.43 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-phenylphenyl)-4-thiophen-3-yl-4H-imidazol-5-one is sourced from PubChem (CID 69261001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).