1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea

C23H21N3O — CID 12500228

IUPAC1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea
SMILESCc1ccc(-c2c(NC(=O)Nc3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-16-12-14-17(15-13-16)21-19-10-6-7-11-20(19)26(2)22(21)25-23(27)24-18-8-4-3-5-9-18/h3-15H,1-2H3,(H2,24,25,27)
InChIKeyDPYTUSNKCUUESU-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.80
Rot. Bonds3

About 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea

1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea (PubChem CID 12500228) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea
PubChem CID12500228
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea
SMILESCc1ccc(-c2c(NC(=O)Nc3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C23H21N3O/c1-16-12-14-17(15-13-16)21-19-10-6-7-11-20(19)26(2)22(21)25-23(27)24-18-8-4-3-5-9-18/h3-15H,1-2H3,(H2,24,25,27)
InChIKeyDPYTUSNKCUUESU-UHFFFAOYSA-N
XLogP5.80
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea 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-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea (CID 12500228) is 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea is Cc1ccc(-c2c(NC(=O)Nc3ccccc3)n(C)c3ccccc23)cc1.
What is the InChIKey of 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea?
The InChIKey is DPYTUSNKCUUESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-16-12-14-17(15-13-16)21-19-10-6-7-11-20(19)26(2)22(21)25-23(27)24-18-8-4-3-5-9-18/h3-15H,1-2H3,(H2,24,25,27).
What are the key properties of 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea?
1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea has a molecular weight of 355.44 g/mol, XLogP of 5.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-3-(4-methylphenyl)indol-2-yl]-3-phenylurea is sourced from PubChem (CID 12500228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).