1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea

C22H19N3O2 — CID 70903237

IUPAC1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
SMILESCc1ccc(-c2cc3ccccc3[nH]2)c(NC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C22H19N3O2/c1-14-6-11-18(21-13-15-4-2-3-5-19(15)24-21)20(12-14)25-22(27)23-16-7-9-17(26)10-8-16/h2-13,24,26H,1H3,(H2,23,25,27)
InChIKeyLJZVGLNDBBIIHR-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.49
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea

1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea (PubChem CID 70903237) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
PubChem CID70903237
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea
SMILESCc1ccc(-c2cc3ccccc3[nH]2)c(NC(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C22H19N3O2/c1-14-6-11-18(21-13-15-4-2-3-5-19(15)24-21)20(12-14)25-22(27)23-16-7-9-17(26)10-8-16/h2-13,24,26H,1H3,(H2,23,25,27)
InChIKeyLJZVGLNDBBIIHR-UHFFFAOYSA-N
XLogP5.49
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]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-(2,5-dimethylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384315
1-(3-fluoro-4-methylphenyl)-3-[2-(1H-indol-2-yl)phenyl]urea
CID 46384330
1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
methyl 3-[[2-(1H-indol-2-yl)phenyl]carbamoylamino]benzoate
CID 46384340
1-[2-(1H-indol-2-yl)phenyl]-3-propan-2-ylurea
CID 20972909
1-(2,5-dimethylphenyl)-3-[4-(4-hydroxyphenyl)phenyl]urea
CID 168974118
N-[2-(5-methyl-1H-indol-2-yl)phenyl]acetamide
CID 134835281
ethyl N-[2-(1H-indol-2-yl)phenyl]carbamate
CID 134835195
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380950
1-(4-bromo-3-methylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
CID 46380985
1-(4-fluorophenyl)-3-[3-(1H-indol-2-yl)phenyl]urea
CID 46380896
4-(1H-indol-2-yl)phenol
CID 11287260

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea (CID 70903237) is 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea is Cc1ccc(-c2cc3ccccc3[nH]2)c(NC(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea?
The InChIKey is LJZVGLNDBBIIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-14-6-11-18(21-13-15-4-2-3-5-19(15)24-21)20(12-14)25-22(27)23-16-7-9-17(26)10-8-16/h2-13,24,26H,1H3,(H2,23,25,27).
What are the key properties of 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea?
1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea has a molecular weight of 357.41 g/mol, XLogP of 5.49, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-[2-(1H-indol-2-yl)-5-methylphenyl]urea is sourced from PubChem (CID 70903237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).