5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one

C18H20N4O — CID 155813960

IUPAC5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one
SMILESCN1C(=O)N/C(=N\Cc2ccccc2)C1NCc1ccccc1
InChIInChI=1S/C18H20N4O/c1-22-17(20-13-15-10-6-3-7-11-15)16(21-18(22)23)19-12-14-8-4-2-5-9-14/h2-11,17,20H,12-13H2,1H3,(H,19,21,23)
InChIKeyJQPBSIKCILDJLS-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.36
Rot. Bonds5

About 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one

5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one (PubChem CID 155813960) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one
PubChem CID155813960
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one
SMILESCN1C(=O)N/C(=N\Cc2ccccc2)C1NCc1ccccc1
InChIInChI=1S/C18H20N4O/c1-22-17(20-13-15-10-6-3-7-11-15)16(21-18(22)23)19-12-14-8-4-2-5-9-14/h2-11,17,20H,12-13H2,1H3,(H,19,21,23)
InChIKeyJQPBSIKCILDJLS-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one?
The IUPAC name of 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one (CID 155813960) is 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one.
What is the SMILES notation for 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one?
The canonical SMILES for 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one is CN1C(=O)N/C(=N\Cc2ccccc2)C1NCc1ccccc1.
What is the InChIKey of 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one?
The InChIKey is JQPBSIKCILDJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-17(20-13-15-10-6-3-7-11-15)16(21-18(22)23)19-12-14-8-4-2-5-9-14/h2-11,17,20H,12-13H2,1H3,(H,19,21,23).
What are the key properties of 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one?
5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-benzylimino-1-methylimidazolidin-2-one is sourced from PubChem (CID 155813960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).