2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one

C17H17N3O — CID 70681035

IUPAC2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one
SMILESCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C17H17N3O/c1-12-7-6-10-14(11-12)17(13-8-4-3-5-9-13)15(21)20(2)16(18)19-17/h3-11H,1-2H3,(H2,18,19)
InChIKeyDASNJRUZVNGPCB-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one

2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one (PubChem CID 70681035) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one
PubChem CID70681035
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one
SMILESCc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C17H17N3O/c1-12-7-6-10-14(11-12)17(13-8-4-3-5-9-13)15(21)20(2)16(18)19-17/h3-11H,1-2H3,(H2,18,19)
InChIKeyDASNJRUZVNGPCB-UHFFFAOYSA-N
XLogP2.03
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-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-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one (CID 70681035) is 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one is Cc1cccc(C2(c3ccccc3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one?
The InChIKey is DASNJRUZVNGPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-6-10-14(11-12)17(13-8-4-3-5-9-13)15(21)20(2)16(18)19-17/h3-11H,1-2H3,(H2,18,19).
What are the key properties of 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one?
2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(3-methylphenyl)-5-phenylimidazol-4-one is sourced from PubChem (CID 70681035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).