1,1-dibenzyl-3-phenylurea

C21H20N2O — CID 791722

IUPAC1,1-dibenzyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,24)
InChIKeyPTHTXCJHLYXEMB-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.92
Rot. Bonds5

About 1,1-dibenzyl-3-phenylurea

1,1-dibenzyl-3-phenylurea (PubChem CID 791722) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1,1-dibenzyl-3-phenylurea.

Molecular Properties

Compound Name1,1-dibenzyl-3-phenylurea
PubChem CID791722
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1,1-dibenzyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H20N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,24)
InChIKeyPTHTXCJHLYXEMB-UHFFFAOYSA-N
XLogP4.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-phenylurea?
The IUPAC name of 1,1-dibenzyl-3-phenylurea (CID 791722) is 1,1-dibenzyl-3-phenylurea.
What is the SMILES notation for 1,1-dibenzyl-3-phenylurea?
The canonical SMILES for 1,1-dibenzyl-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-phenylurea?
The InChIKey is PTHTXCJHLYXEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c24-21(22-20-14-8-3-9-15-20)23(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,24).
What are the key properties of 1,1-dibenzyl-3-phenylurea?
1,1-dibenzyl-3-phenylurea has a molecular weight of 316.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-phenylurea is sourced from PubChem (CID 791722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).