1-[(2,5-dimethylphenyl)methyl]-3-phenylurea

C16H18N2O — CID 2337854

IUPAC1-[(2,5-dimethylphenyl)methyl]-3-phenylurea
SMILESCc1ccc(C)c(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-12-8-9-13(2)14(10-12)11-17-16(19)18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyAFZLWJDRFLEHKN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.63
Rot. Bonds3

About 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea

1-[(2,5-dimethylphenyl)methyl]-3-phenylurea (PubChem CID 2337854) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3-phenylurea
PubChem CID2337854
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3-phenylurea
SMILESCc1ccc(C)c(CNC(=O)Nc2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-12-8-9-13(2)14(10-12)11-17-16(19)18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,17,18,19)
InChIKeyAFZLWJDRFLEHKN-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea (CID 2337854) is 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea is Cc1ccc(C)c(CNC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea?
The InChIKey is AFZLWJDRFLEHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-8-9-13(2)14(10-12)11-17-16(19)18-15-6-4-3-5-7-15/h3-10H,11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3-phenylurea?
1-[(2,5-dimethylphenyl)methyl]-3-phenylurea 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-[(2,5-dimethylphenyl)methyl]-3-phenylurea is sourced from PubChem (CID 2337854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).