1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one

C17H17N3O2 — CID 91042436

IUPAC1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one
SMILESCc1ccccc1-n1c(O)cn(Cc2ccc(N)cc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-12-4-2-3-5-15(12)20-16(21)11-19(17(20)22)10-13-6-8-14(18)9-7-13/h2-9,11,21H,10,18H2,1H3
InChIKeyNOTVGIQDOITHHJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.28
Rot. Bonds3

About 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one

1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one (PubChem CID 91042436) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one
PubChem CID91042436
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one
SMILESCc1ccccc1-n1c(O)cn(Cc2ccc(N)cc2)c1=O
InChIInChI=1S/C17H17N3O2/c1-12-4-2-3-5-15(12)20-16(21)11-19(17(20)22)10-13-6-8-14(18)9-7-13/h2-9,11,21H,10,18H2,1H3
InChIKeyNOTVGIQDOITHHJ-UHFFFAOYSA-N
XLogP2.28
TPSA73.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-(2-methylphenyl)-1-[(4-nitrophenyl)methyl]imidazol-2-one
CID 90969522
1-benzyl-4-hydroxy-3-methylimidazol-2-one
CID 54295474
1-[(4-aminophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-2-one
CID 67991536
6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 2823066
1-ethyl-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 42853207
1-[(4-aminophenyl)methyl]-5-chloropyridin-2-one
CID 82032086
2-(3-benzyl-5-hydroxy-2-oxoimidazol-1-yl)acetic acid
CID 54352516
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
6-[(4-aminophenyl)methyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
CID 69456622
1-(2-hydroxyphenyl)pyrrole-2,5-dione;4-methylaniline
CID 175561101
1-benzyl-3-(2-methylphenyl)-7-[(3-methylphenyl)methyl]purine-2,6-dione
CID 46060792

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one?
The IUPAC name of 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one (CID 91042436) is 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one is Cc1ccccc1-n1c(O)cn(Cc2ccc(N)cc2)c1=O.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one?
The InChIKey is NOTVGIQDOITHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-4-2-3-5-15(12)20-16(21)11-19(17(20)22)10-13-6-8-14(18)9-7-13/h2-9,11,21H,10,18H2,1H3.
What are the key properties of 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one?
1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-4-hydroxy-3-(2-methylphenyl)imidazol-2-one is sourced from PubChem (CID 91042436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).