2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one

C25H20N4O — CID 25063649

IUPAC2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc4ncccc34)c2)N=C1N
InChIInChI=1S/C25H20N4O/c1-29-23(30)25(28-24(29)26,18-9-3-2-4-10-18)19-11-5-8-17(16-19)20-12-6-14-22-21(20)13-7-15-27-22/h2-16H,1H3,(H2,26,28)
InChIKeyBEBDIVAYJJCOMS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.93
Rot. Bonds3

About 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one

2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one (PubChem CID 25063649) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one
PubChem CID25063649
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc4ncccc34)c2)N=C1N
InChIInChI=1S/C25H20N4O/c1-29-23(30)25(28-24(29)26,18-9-3-2-4-10-18)19-11-5-8-17(16-19)20-12-6-14-22-21(20)13-7-15-27-22/h2-16H,1H3,(H2,26,28)
InChIKeyBEBDIVAYJJCOMS-UHFFFAOYSA-N
XLogP3.93
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one (CID 25063649) is 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2ccccc2)(c2cccc(-c3cccc4ncccc34)c2)N=C1N.
What is the InChIKey of 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one?
The InChIKey is BEBDIVAYJJCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-29-23(30)25(28-24(29)26,18-9-3-2-4-10-18)19-11-5-8-17(16-19)20-12-6-14-22-21(20)13-7-15-27-22/h2-16H,1H3,(H2,26,28).
What are the key properties of 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one has a molecular weight of 392.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-phenyl-5-(3-quinolin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 25063649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).