2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one

C16H15N3O — CID 139822658

IUPAC2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one
SMILESCC1(c2ccccc2)N=C(c2ccccc2N)NC1=O
InChIInChI=1S/C16H15N3O/c1-16(11-7-3-2-4-8-11)15(20)18-14(19-16)12-9-5-6-10-13(12)17/h2-10H,17H2,1H3,(H,18,19,20)
InChIKeyLRWYAOZYSVNBQG-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.06
Rot. Bonds2

About 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one

2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one (PubChem CID 139822658) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one.

Molecular Properties

Compound Name2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one
PubChem CID139822658
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one
SMILESCC1(c2ccccc2)N=C(c2ccccc2N)NC1=O
InChIInChI=1S/C16H15N3O/c1-16(11-7-3-2-4-8-11)15(20)18-14(19-16)12-9-5-6-10-13(12)17/h2-10H,17H2,1H3,(H,18,19,20)
InChIKeyLRWYAOZYSVNBQG-UHFFFAOYSA-N
XLogP2.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[(4R)-4-methyl-5-oxo-4-phenyl-1H-imidazol-2-yl]benzeneamine oxide
CID 163117059
4-methyl-4-phenyl-2-(sulfanylmethyl)-1H-imidazol-5-one
CID 140999822
2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
CID 21466586
2-amino-4-methyl-4-(2-methylphenyl)-1H-imidazol-5-one
CID 82997474
2-amino-4-(4-tert-butylphenyl)-4-methyl-1H-imidazol-5-one
CID 82997227
ethane;5-methyl-5-phenylimidazole-2,4-diamine
CID 91607627
(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
CID 135881863
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
2-amino-4-methyl-4-(4-propan-2-yloxyphenyl)-1H-imidazol-5-one
CID 82997997
sodium;hydride;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)benzoic acid
CID 173424593
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)aniline
CID 10583839
2-methyl-2,3-diphenylazirine
CID 13307627

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one?
The IUPAC name of 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one (CID 139822658) is 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one.
What is the SMILES notation for 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one?
The canonical SMILES for 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one is CC1(c2ccccc2)N=C(c2ccccc2N)NC1=O.
What is the InChIKey of 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one?
The InChIKey is LRWYAOZYSVNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-16(11-7-3-2-4-8-11)15(20)18-14(19-16)12-9-5-6-10-13(12)17/h2-10H,17H2,1H3,(H,18,19,20).
What are the key properties of 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one?
2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one has a molecular weight of 265.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one is sourced from PubChem (CID 139822658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).