1-benzyl-3-(2,4-dimethylphenyl)urea

C16H18N2O — CID 4612352

IUPAC1-benzyl-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C16H18N2O/c1-12-8-9-15(13(2)10-12)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyNIVTZXFKQORAFR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds3

About 1-benzyl-3-(2,4-dimethylphenyl)urea

1-benzyl-3-(2,4-dimethylphenyl)urea (PubChem CID 4612352) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-benzyl-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2,4-dimethylphenyl)urea
PubChem CID4612352
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-benzyl-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NCc2ccccc2)c(C)c1
InChIInChI=1S/C16H18N2O/c1-12-8-9-15(13(2)10-12)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyNIVTZXFKQORAFR-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Siduron
CID 16116
Isoproturon
CID 36679
N-(2,4-Dimethylphenyl)formamide
CID 92363
Daimuron
CID 39238
3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)
CID 87146
Atglistatin
CID 71699712
N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(4-(dimethylamino)phenyl)cyclopentyl)methyl)urea hydrochloride
CID 131678
N-(4-Methylphenyl)urea
CID 12148
Urea, N,N-dimethyl-N'-(4-methylphenyl)-
CID 23549
Monodesmethylisoproturon
CID 182167
Recainam
CID 53084
3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-benzyl-3-(2,4-dimethylphenyl)urea (CID 4612352) is 1-benzyl-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-benzyl-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-benzyl-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NCc2ccccc2)c(C)c1.
What is the InChIKey of 1-benzyl-3-(2,4-dimethylphenyl)urea?
The InChIKey is NIVTZXFKQORAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-8-9-15(13(2)10-12)18-16(19)17-11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-(2,4-dimethylphenyl)urea?
1-benzyl-3-(2,4-dimethylphenyl)urea has a molecular weight of 254.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 4612352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).