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

C17H19N3O — CID 115512876

IUPAC1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(c2ccccc2N)C1=O
InChIInChI=1S/C17H19N3O/c1-13-6-2-3-7-14(13)12-19-10-11-20(17(19)21)16-9-5-4-8-15(16)18/h2-9H,10-12,18H2,1H3
InChIKeyMWNWKCPDZSZNNK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds3

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

1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one (PubChem CID 115512876) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
PubChem CID115512876
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one
SMILESCc1ccccc1CN1CCN(c2ccccc2N)C1=O
InChIInChI=1S/C17H19N3O/c1-13-6-2-3-7-14(13)12-19-10-11-20(17(19)21)16-9-5-4-8-15(16)18/h2-9H,10-12,18H2,1H3
InChIKeyMWNWKCPDZSZNNK-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one (CID 115512876) is 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one is Cc1ccccc1CN1CCN(c2ccccc2N)C1=O.
What is the InChIKey of 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
The InChIKey is MWNWKCPDZSZNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-2-3-7-14(13)12-19-10-11-20(17(19)21)16-9-5-4-8-15(16)18/h2-9H,10-12,18H2,1H3.
What are the key properties of 1-(2-aminophenyl)-3-[(2-methylphenyl)methyl]imidazolidin-2-one?
1-(2-aminophenyl)-3-[(2-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-[(2-methylphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 115512876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).