1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one

C17H19N3O — CID 115512911

IUPAC1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cccc(CN2CCN(c3ccccc3N)C2=O)c1
InChIInChI=1S/C17H19N3O/c1-13-5-4-6-14(11-13)12-19-9-10-20(17(19)21)16-8-3-2-7-15(16)18/h2-8,11H,9-10,12,18H2,1H3
InChIKeyKLDYADIQPRCACS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds3

About 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one

1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 115512911) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
PubChem CID115512911
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1cccc(CN2CCN(c3ccccc3N)C2=O)c1
InChIInChI=1S/C17H19N3O/c1-13-5-4-6-14(11-13)12-19-9-10-20(17(19)21)16-8-3-2-7-15(16)18/h2-8,11H,9-10,12,18H2,1H3
InChIKeyKLDYADIQPRCACS-UHFFFAOYSA-N
XLogP3.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 115512876
1-(2-aminophenyl)-3-(2-methylbutyl)imidazolidin-2-one
CID 113326184
1-(2-aminophenyl)-3-(2-propylsulfonylethyl)imidazolidin-2-one
CID 106724738
1-[4-(1,3-diiminopropan-2-yl)-3-methoxyphenyl]-3-[(3-methylphenyl)methyl]imidazolidin-2-one
CID 123324890
1-[(3-aminophenyl)methyl]-3-methylimidazolidin-2-one
CID 62491832
(6R)-6-amino-1-methyl-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 10658150
1-(2-aminophenyl)-3-[2-(2-hydroxyethoxy)ethyl]imidazolidin-2-one
CID 115512904
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-[(3-methylphenyl)methyl]piperazine-2,3-dione
CID 53063951
1-(2-aminophenyl)-3-(oxan-4-ylmethyl)imidazolidin-2-one
CID 115512912
N-[2-[3-[(3,5-dimethylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]-2-phenylacetamide
CID 42868771
N-butyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15994323
N-cyclopentyl-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 3575531

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one (CID 115512911) is 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one is Cc1cccc(CN2CCN(c3ccccc3N)C2=O)c1.
What is the InChIKey of 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is KLDYADIQPRCACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-5-4-6-14(11-13)12-19-9-10-20(17(19)21)16-8-3-2-7-15(16)18/h2-8,11H,9-10,12,18H2,1H3.
What are the key properties of 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one?
1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-3-[(3-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 115512911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).