1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea

C21H20N2O2 — CID 168974118

IUPAC1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-14-3-4-15(2)20(13-14)23-21(25)22-18-9-5-16(6-10-18)17-7-11-19(24)12-8-17/h3-13,24H,1-2H3,(H2,22,23,25)
InChIKeyIVNHRRTZABTYCF-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.32
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea

1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea (PubChem CID 168974118) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
PubChem CID168974118
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
SMILESCc1ccc(C)c(NC(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1
InChIInChI=1S/C21H20N2O2/c1-14-3-4-15(2)20(13-14)23-21(25)22-18-9-5-16(6-10-18)17-7-11-19(24)12-8-17/h3-13,24H,1-2H3,(H2,22,23,25)
InChIKeyIVNHRRTZABTYCF-UHFFFAOYSA-N
XLogP5.32
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)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

Related Compounds

1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
1-(2,5-dimethylphenyl)-3-[4-(3-methoxyphenyl)phenyl]urea
CID 168974151
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
N'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
1-(2-chloro-4-hydroxyphenyl)-3-(4-methylphenyl)urea
CID 64787940
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-(2,5-dimethylphenyl)-3-[4-(6-ethoxypyridazin-3-yl)phenyl]urea
CID 43991121
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
3-[(2,5-dimethylphenyl)carbamoylamino]benzoic acid
CID 61193250
4-[(2,5-dimethylphenyl)carbamoylamino]-N-[2-(propanoylamino)ethyl]benzamide
CID 121062388
1-(3-chloro-4-methoxyphenyl)-3-(2,5-dimethylphenyl)urea
CID 108991326
1-(3-methylphenyl)-3-[4-[4-[(3-methylphenyl)carbamoylamino]phenyl]phenyl]urea
CID 1239967

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea (CID 168974118) is 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea is Cc1ccc(C)c(NC(=O)Nc2ccc(-c3ccc(O)cc3)cc2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea?
The InChIKey is IVNHRRTZABTYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-14-3-4-15(2)20(13-14)23-21(25)22-18-9-5-16(6-10-18)17-7-11-19(24)12-8-17/h3-13,24H,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea?
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea has a molecular weight of 332.40 g/mol, XLogP of 5.32, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea is sourced from PubChem (CID 168974118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).