1,3-dibenzylideneurea

C15H12N2O — CID 54211690

IUPAC1,3-dibenzylideneurea
SMILESO=C(N=Cc1ccccc1)N=Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-12H
InChIKeyPWJONTMSHFEIQT-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.34
Rot. Bonds2

About 1,3-dibenzylideneurea

1,3-dibenzylideneurea (PubChem CID 54211690) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 1,3-dibenzylideneurea.

Molecular Properties

Compound Name1,3-dibenzylideneurea
PubChem CID54211690
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name1,3-dibenzylideneurea
SMILESO=C(N=Cc1ccccc1)N=Cc1ccccc1
InChIInChI=1S/C15H12N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-12H
InChIKeyPWJONTMSHFEIQT-UHFFFAOYSA-N
XLogP3.34
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylideneurea?
The IUPAC name of 1,3-dibenzylideneurea (CID 54211690) is 1,3-dibenzylideneurea.
What is the SMILES notation for 1,3-dibenzylideneurea?
The canonical SMILES for 1,3-dibenzylideneurea is O=C(N=Cc1ccccc1)N=Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylideneurea?
The InChIKey is PWJONTMSHFEIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1,3-dibenzylideneurea?
1,3-dibenzylideneurea has a molecular weight of 236.27 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylideneurea is sourced from PubChem (CID 54211690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).