1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

C20H22N4O2 — CID 56553421

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)c(C)c1
InChIInChI=1S/C20H22N4O2/c1-13-8-9-16(14(2)10-13)12-21-19(25)23-17-6-4-5-7-18(17)24-15(3)11-22-20(24)26/h4-11H,12H2,1-3H3,(H,22,26)(H2,21,23,25)
InChIKeyQUZXNBRDFGHTBH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.41
Rot. Bonds4

About 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea

1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (PubChem CID 56553421) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
PubChem CID56553421
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
SMILESCc1ccc(CNC(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)c(C)c1
InChIInChI=1S/C20H22N4O2/c1-13-8-9-16(14(2)10-13)12-21-19(25)23-17-6-4-5-7-18(17)24-15(3)11-22-20(24)26/h4-11H,12H2,1-3H3,(H,22,26)(H2,21,23,25)
InChIKeyQUZXNBRDFGHTBH-UHFFFAOYSA-N
XLogP3.41
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea (CID 56553421) is 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is Cc1ccc(CNC(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
The InChIKey is QUZXNBRDFGHTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-8-9-16(14(2)10-13)12-21-19(25)23-17-6-4-5-7-18(17)24-15(3)11-22-20(24)26/h4-11H,12H2,1-3H3,(H,22,26)(H2,21,23,25).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea?
1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea has a molecular weight of 350.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea is sourced from PubChem (CID 56553421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).