1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea

C23H21N3O — CID 46380950

IUPAC1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H21N3O/c1-2-16-7-11-19(12-8-16)24-23(27)25-20-13-9-17(10-14-20)22-15-18-5-3-4-6-21(18)26-22/h3-15,26H,2H2,1H3,(H2,24,25,27)
InChIKeyJXZXGWUCLPHIIC-UHFFFAOYSA-N
MW355.44 g/mol
LogP6.04
Rot. Bonds4

About 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea

1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea (PubChem CID 46380950) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
PubChem CID46380950
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea
SMILESCCc1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1
InChIInChI=1S/C23H21N3O/c1-2-16-7-11-19(12-8-16)24-23(27)25-20-13-9-17(10-14-20)22-15-18-5-3-4-6-21(18)26-22/h3-15,26H,2H2,1H3,(H2,24,25,27)
InChIKeyJXZXGWUCLPHIIC-UHFFFAOYSA-N
XLogP6.04
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 56.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-(4-ethylphenyl)-3-[4-(1H-indol-2-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

Related Compounds

1-[4-(1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46380970
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
5-bromo-N-[4-(1H-indol-2-yl)phenyl]furan-2-carboxamide
CID 46334471
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134
N-[4-(1H-indol-2-yl)phenyl]cyclobutanecarboxamide
CID 20934546
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
CID 46381077
N-[4-(1H-indol-2-yl)phenyl]-1-propylpiperidine-4-carboxamide
CID 26324558
1-(3,5-dimethylphenyl)-3-[4-(5-fluoro-1H-indol-2-yl)phenyl]urea
CID 46381042
2-(4-fluorophenoxy)-N-[4-(1H-indol-2-yl)phenyl]acetamide
CID 46334514
1-[4-(5-fluoro-1H-indol-2-yl)phenyl]-3-(3-methylsulfanylphenyl)urea
CID 46381079
1-[4-(5-chloro-1H-indol-2-yl)phenyl]-3-(3-methylphenyl)urea
CID 46381008

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea (CID 46380950) is 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea is CCc1ccc(NC(=O)Nc2ccc(-c3cc4ccccc4[nH]3)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
The InChIKey is JXZXGWUCLPHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-2-16-7-11-19(12-8-16)24-23(27)25-20-13-9-17(10-14-20)22-15-18-5-3-4-6-21(18)26-22/h3-15,26H,2H2,1H3,(H2,24,25,27).
What are the key properties of 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea?
1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea has a molecular weight of 355.44 g/mol, XLogP of 6.04, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[4-(1H-indol-2-yl)phenyl]urea is sourced from PubChem (CID 46380950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).