1-(benzylideneamino)-3-phenylurea

C14H13N3O — CID 826880

IUPAC1-(benzylideneamino)-3-phenylurea
SMILESO=C(NN=Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H13N3O/c18-14(16-13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H,(H2,16,17,18)
InChIKeySXCIVFODNMDTER-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.84
Rot. Bonds3

About 1-(benzylideneamino)-3-phenylurea

1-(benzylideneamino)-3-phenylurea (PubChem CID 826880) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(benzylideneamino)-3-phenylurea.

Molecular Properties

Compound Name1-(benzylideneamino)-3-phenylurea
PubChem CID826880
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name1-(benzylideneamino)-3-phenylurea
SMILESO=C(NN=Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C14H13N3O/c18-14(16-13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H,(H2,16,17,18)
InChIKeySXCIVFODNMDTER-UHFFFAOYSA-N
XLogP2.84
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(benzylideneamino)-3-phenylurea 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 1-(benzylideneamino)-3-phenylurea?
The IUPAC name of 1-(benzylideneamino)-3-phenylurea (CID 826880) is 1-(benzylideneamino)-3-phenylurea.
What is the SMILES notation for 1-(benzylideneamino)-3-phenylurea?
The canonical SMILES for 1-(benzylideneamino)-3-phenylurea is O=C(NN=Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-(benzylideneamino)-3-phenylurea?
The InChIKey is SXCIVFODNMDTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-14(16-13-9-5-2-6-10-13)17-15-11-12-7-3-1-4-8-12/h1-11H,(H2,16,17,18).
What are the key properties of 1-(benzylideneamino)-3-phenylurea?
1-(benzylideneamino)-3-phenylurea has a molecular weight of 239.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzylideneamino)-3-phenylurea is sourced from PubChem (CID 826880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).