1-benzyl-1-(benzylideneamino)urea

C15H15N3O — CID 71443494

IUPAC1-benzyl-1-(benzylideneamino)urea
SMILESNC(=O)N(Cc1ccccc1)N=Cc1ccccc1
InChIInChI=1S/C15H15N3O/c16-15(19)18(12-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-11H,12H2,(H2,16,19)
InChIKeyAHDJVAZKWGZPOP-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.60
Rot. Bonds4

About 1-benzyl-1-(benzylideneamino)urea

1-benzyl-1-(benzylideneamino)urea (PubChem CID 71443494) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-benzyl-1-(benzylideneamino)urea.

Molecular Properties

Compound Name1-benzyl-1-(benzylideneamino)urea
PubChem CID71443494
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-benzyl-1-(benzylideneamino)urea
SMILESNC(=O)N(Cc1ccccc1)N=Cc1ccccc1
InChIInChI=1S/C15H15N3O/c16-15(19)18(12-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-11H,12H2,(H2,16,19)
InChIKeyAHDJVAZKWGZPOP-UHFFFAOYSA-N
XLogP2.60
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
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-benzyl-1-(benzylideneamino)urea with MolForge

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

Launch Full Analysis

Related Compounds

4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
CID 135409477
1-benzyl-1-chlorourea
CID 23442758
ethyl N-(benzylideneamino)-N-(2-hydroxyethyl)carbamate
CID 57098744
1-(benzylideneamino)-1-(2,6-dimethylphenyl)urea
CID 90284868
1-(benzylideneamino)-1-(2-hydroxyethyl)-3-methylurea
CID 57116545
N-[[4-[[benzyl(trimethylsilyl)hydrazinylidene]methyl]phenyl]methylideneamino]-1-phenyl-N-trimethylsilylmethanamine
CID 123927156
amino(benzyl)carbamic acid
CID 18704089
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
2-amino-N,N-dibenzylacetamide
CID 11107897
(Z)-N,N-dibenzyl-3-phenylprop-2-enamide
CID 11163228
N',N'-dibenzylbutanediamide
CID 101024490
N,N-dibenzyl-2-[4-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide
CID 135472728

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-(benzylideneamino)urea?
The IUPAC name of 1-benzyl-1-(benzylideneamino)urea (CID 71443494) is 1-benzyl-1-(benzylideneamino)urea.
What is the SMILES notation for 1-benzyl-1-(benzylideneamino)urea?
The canonical SMILES for 1-benzyl-1-(benzylideneamino)urea is NC(=O)N(Cc1ccccc1)N=Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-(benzylideneamino)urea?
The InChIKey is AHDJVAZKWGZPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-15(19)18(12-14-9-5-2-6-10-14)17-11-13-7-3-1-4-8-13/h1-11H,12H2,(H2,16,19).
What are the key properties of 1-benzyl-1-(benzylideneamino)urea?
1-benzyl-1-(benzylideneamino)urea has a molecular weight of 253.31 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-(benzylideneamino)urea is sourced from PubChem (CID 71443494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).