1,3-bis[(E)-benzylideneamino]urea

C15H14N4O — CID 5332524

IUPAC1,3-bis[(E)-benzylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H14N4O/c20-15(18-16-11-13-7-3-1-4-8-13)19-17-12-14-9-5-2-6-10-14/h1-12H,(H2,18,19,20)/b16-11+,17-12+
InChIKeyAUOMJAPPVCBXBJ-MAEUFBSDSA-N
MW266.30 g/mol
LogP2.35
Rot. Bonds4

About 1,3-bis[(E)-benzylideneamino]urea

1,3-bis[(E)-benzylideneamino]urea (PubChem CID 5332524) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,3-bis[(E)-benzylideneamino]urea.

Molecular Properties

Compound Name1,3-bis[(E)-benzylideneamino]urea
PubChem CID5332524
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1,3-bis[(E)-benzylideneamino]urea
SMILESO=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C15H14N4O/c20-15(18-16-11-13-7-3-1-4-8-13)19-17-12-14-9-5-2-6-10-14/h1-12H,(H2,18,19,20)/b16-11+,17-12+
InChIKeyAUOMJAPPVCBXBJ-MAEUFBSDSA-N
XLogP2.35
TPSA65.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(E)-benzylideneamino]urea?
The IUPAC name of 1,3-bis[(E)-benzylideneamino]urea (CID 5332524) is 1,3-bis[(E)-benzylideneamino]urea.
What is the SMILES notation for 1,3-bis[(E)-benzylideneamino]urea?
The canonical SMILES for 1,3-bis[(E)-benzylideneamino]urea is O=C(N/N=C/c1ccccc1)N/N=C/c1ccccc1.
What is the InChIKey of 1,3-bis[(E)-benzylideneamino]urea?
The InChIKey is AUOMJAPPVCBXBJ-MAEUFBSDSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(18-16-11-13-7-3-1-4-8-13)19-17-12-14-9-5-2-6-10-14/h1-12H,(H2,18,19,20)/b16-11+,17-12+.
What are the key properties of 1,3-bis[(E)-benzylideneamino]urea?
1,3-bis[(E)-benzylideneamino]urea has a molecular weight of 266.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(E)-benzylideneamino]urea is sourced from PubChem (CID 5332524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).