1-benzyl-3-[(4-methylphenyl)methyl]urea

C16H18N2O — CID 2313118

IUPAC1-benzyl-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13-7-9-15(10-8-13)12-18-16(19)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyBDFGAYSJHXBRRO-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.99
Rot. Bonds4

About 1-benzyl-3-[(4-methylphenyl)methyl]urea

1-benzyl-3-[(4-methylphenyl)methyl]urea (PubChem CID 2313118) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-benzyl-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(4-methylphenyl)methyl]urea
PubChem CID2313118
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-benzyl-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H18N2O/c1-13-7-9-15(10-8-13)12-18-16(19)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18,19)
InChIKeyBDFGAYSJHXBRRO-UHFFFAOYSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
N-Cyclohexyl-N'-(Propyl)Phenyl Urea
CID 4358
Benzylurea
CID 10853
N,N'-Bis(2-phenylethyl)urea
CID 95244
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
1,3-Dihydro-4,5-diphenyl-2H-imidazol-2-one
CID 231587

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(4-methylphenyl)methyl]urea (CID 2313118) is 1-benzyl-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-[(4-methylphenyl)methyl]urea?
The InChIKey is BDFGAYSJHXBRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-13-7-9-15(10-8-13)12-18-16(19)17-11-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[(4-methylphenyl)methyl]urea?
1-benzyl-3-[(4-methylphenyl)methyl]urea has a molecular weight of 254.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 2313118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).