2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one

C27H23N3OS — CID 59387095

IUPAC2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCc1csc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1
InChIInChI=1S/C27H23N3OS/c1-19-15-24(32-18-19)21-10-8-9-20(16-21)17-30-25(31)27(29-26(30)28,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-16,18H,17H2,1H3,(H2,28,29)
InChIKeyKUIOLZPNZZHEGE-UHFFFAOYSA-N
MW437.57 g/mol
LogP5.32
Rot. Bonds5

About 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one

2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one (PubChem CID 59387095) has the molecular formula C27H23N3OS and a molecular weight of 437.57 g/mol. Its IUPAC name is 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
PubChem CID59387095
Molecular FormulaC27H23N3OS
Molecular Weight437.57 g/mol
Exact Mass437.16
IUPAC Name2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
SMILESCc1csc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1
InChIInChI=1S/C27H23N3OS/c1-19-15-24(32-18-19)21-10-8-9-20(16-21)17-30-25(31)27(29-26(30)28,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-16,18H,17H2,1H3,(H2,28,29)
InChIKeyKUIOLZPNZZHEGE-UHFFFAOYSA-N
XLogP5.32
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.57
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-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 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one (CID 59387095) is 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one is Cc1csc(-c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)c1.
What is the InChIKey of 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
The InChIKey is KUIOLZPNZZHEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3OS/c1-19-15-24(32-18-19)21-10-8-9-20(16-21)17-30-25(31)27(29-26(30)28,22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-16,18H,17H2,1H3,(H2,28,29).
What are the key properties of 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one?
2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one has a molecular weight of 437.57 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(4-methylthiophen-2-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 59387095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).