1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea

C17H23N3O — CID 3237248

IUPAC1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
SMILESCc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
InChIInChI=1S/C17H23N3O/c1-12-9-14-10-13(7-8-16(14)19-12)11-18-17(21)20-15-5-3-2-4-6-15/h7-10,15,19H,2-6,11H2,1H3,(H2,18,20,21)
InChIKeyDTSJGRSTTBIZMS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.61
Rot. Bonds3

About 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea

1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea (PubChem CID 3237248) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
PubChem CID3237248
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
SMILESCc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
InChIInChI=1S/C17H23N3O/c1-12-9-14-10-13(7-8-16(14)19-12)11-18-17(21)20-15-5-3-2-4-6-15/h7-10,15,19H,2-6,11H2,1H3,(H2,18,20,21)
InChIKeyDTSJGRSTTBIZMS-UHFFFAOYSA-N
XLogP3.61
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea 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-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea (CID 3237248) is 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea is Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1.
What is the InChIKey of 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The InChIKey is DTSJGRSTTBIZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-9-14-10-13(7-8-16(14)19-12)11-18-17(21)20-15-5-3-2-4-6-15/h7-10,15,19H,2-6,11H2,1H3,(H2,18,20,21).
What are the key properties of 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea has a molecular weight of 285.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea is sourced from PubChem (CID 3237248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).