1,1-dibenzyl-3-(3-methylphenyl)urea

C22H22N2O — CID 3404984

IUPAC1,1-dibenzyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O/c1-18-9-8-14-21(15-18)23-22(25)24(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyUHJPHZVOSRTEMM-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.23
Rot. Bonds5

About 1,1-dibenzyl-3-(3-methylphenyl)urea

1,1-dibenzyl-3-(3-methylphenyl)urea (PubChem CID 3404984) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(3-methylphenyl)urea
PubChem CID3404984
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name1,1-dibenzyl-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H22N2O/c1-18-9-8-14-21(15-18)23-22(25)24(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,23,25)
InChIKeyUHJPHZVOSRTEMM-UHFFFAOYSA-N
XLogP5.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.23
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-(3-methylphenyl)urea?
The IUPAC name of 1,1-dibenzyl-3-(3-methylphenyl)urea (CID 3404984) is 1,1-dibenzyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of 1,1-dibenzyl-3-(3-methylphenyl)urea?
The InChIKey is UHJPHZVOSRTEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-18-9-8-14-21(15-18)23-22(25)24(16-19-10-4-2-5-11-19)17-20-12-6-3-7-13-20/h2-15H,16-17H2,1H3,(H,23,25).
What are the key properties of 1,1-dibenzyl-3-(3-methylphenyl)urea?
1,1-dibenzyl-3-(3-methylphenyl)urea has a molecular weight of 330.43 g/mol, XLogP of 5.23, 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-(3-methylphenyl)urea is sourced from PubChem (CID 3404984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).