1,3-diamino-1,3-dibenzylurea

C15H18N4O — CID 12884987

IUPAC1,3-diamino-1,3-dibenzylurea
SMILESNN(Cc1ccccc1)C(=O)N(N)Cc1ccccc1
InChIInChI=1S/C15H18N4O/c16-18(11-13-7-3-1-4-8-13)15(20)19(17)12-14-9-5-2-6-10-14/h1-10H,11-12,16-17H2
InChIKeyVYYUTYYXWOMEDI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds4

About 1,3-diamino-1,3-dibenzylurea

1,3-diamino-1,3-dibenzylurea (PubChem CID 12884987) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 1,3-diamino-1,3-dibenzylurea.

Molecular Properties

Compound Name1,3-diamino-1,3-dibenzylurea
PubChem CID12884987
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name1,3-diamino-1,3-dibenzylurea
SMILESNN(Cc1ccccc1)C(=O)N(N)Cc1ccccc1
InChIInChI=1S/C15H18N4O/c16-18(11-13-7-3-1-4-8-13)15(20)19(17)12-14-9-5-2-6-10-14/h1-10H,11-12,16-17H2
InChIKeyVYYUTYYXWOMEDI-UHFFFAOYSA-N
XLogP1.86
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-diamino-1,3-dibenzylurea?
The IUPAC name of 1,3-diamino-1,3-dibenzylurea (CID 12884987) is 1,3-diamino-1,3-dibenzylurea.
What is the SMILES notation for 1,3-diamino-1,3-dibenzylurea?
The canonical SMILES for 1,3-diamino-1,3-dibenzylurea is NN(Cc1ccccc1)C(=O)N(N)Cc1ccccc1.
What is the InChIKey of 1,3-diamino-1,3-dibenzylurea?
The InChIKey is VYYUTYYXWOMEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-18(11-13-7-3-1-4-8-13)15(20)19(17)12-14-9-5-2-6-10-14/h1-10H,11-12,16-17H2.
What are the key properties of 1,3-diamino-1,3-dibenzylurea?
1,3-diamino-1,3-dibenzylurea has a molecular weight of 270.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-1,3-dibenzylurea is sourced from PubChem (CID 12884987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).