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

C25H25N3O — CID 12500229

IUPAC1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea
SMILESCC(C)c1ccc(-c2c(NC(=O)Nc3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-17(2)18-13-15-19(16-14-18)23-21-11-7-8-12-22(21)28(3)24(23)27-25(29)26-20-9-5-4-6-10-20/h4-17H,1-3H3,(H2,26,27,29)
InChIKeyFSGZSRVXABXLCL-UHFFFAOYSA-N
MW383.50 g/mol
LogP6.61
Rot. Bonds4

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

1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea (PubChem CID 12500229) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea
PubChem CID12500229
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea
SMILESCC(C)c1ccc(-c2c(NC(=O)Nc3ccccc3)n(C)c3ccccc23)cc1
InChIInChI=1S/C25H25N3O/c1-17(2)18-13-15-19(16-14-18)23-21-11-7-8-12-22(21)28(3)24(23)27-25(29)26-20-9-5-4-6-10-20/h4-17H,1-3H3,(H2,26,27,29)
InChIKeyFSGZSRVXABXLCL-UHFFFAOYSA-N
XLogP6.61
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 56.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[1-methyl-3-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)indol-2-yl]-3-phenylurea?
The IUPAC name of 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea (CID 12500229) is 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea?
The canonical SMILES for 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea is CC(C)c1ccc(-c2c(NC(=O)Nc3ccccc3)n(C)c3ccccc23)cc1.
What is the InChIKey of 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea?
The InChIKey is FSGZSRVXABXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17(2)18-13-15-19(16-14-18)23-21-11-7-8-12-22(21)28(3)24(23)27-25(29)26-20-9-5-4-6-10-20/h4-17H,1-3H3,(H2,26,27,29).
What are the key properties of 1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea?
1-[1-methyl-3-(4-propan-2-ylphenyl)indol-2-yl]-3-phenylurea has a molecular weight of 383.50 g/mol, XLogP of 6.61, 4 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-propan-2-ylphenyl)indol-2-yl]-3-phenylurea is sourced from PubChem (CID 12500229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).