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

C18H19N3O — CID 3600645

IUPAC1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2ccc3[nH]c(C)cc3c2)c1
InChIInChI=1S/C18H19N3O/c1-12-4-3-5-16(8-12)21-18(22)19-11-14-6-7-17-15(10-14)9-13(2)20-17/h3-10,20H,11H2,1-2H3,(H2,19,21,22)
InChIKeyCYTHAUMIGOARRX-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.11
Rot. Bonds3

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

1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea (PubChem CID 3600645) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea
PubChem CID3600645
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCc2ccc3[nH]c(C)cc3c2)c1
InChIInChI=1S/C18H19N3O/c1-12-4-3-5-16(8-12)21-18(22)19-11-14-6-7-17-15(10-14)9-13(2)20-17/h3-10,20H,11H2,1-2H3,(H2,19,21,22)
InChIKeyCYTHAUMIGOARRX-UHFFFAOYSA-N
XLogP4.11
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea (CID 3600645) is 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCc2ccc3[nH]c(C)cc3c2)c1.
What is the InChIKey of 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea?
The InChIKey is CYTHAUMIGOARRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-4-3-5-16(8-12)21-18(22)19-11-14-6-7-17-15(10-14)9-13(2)20-17/h3-10,20H,11H2,1-2H3,(H2,19,21,22).
What are the key properties of 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea?
1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea has a molecular weight of 293.37 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1H-indol-5-yl)methyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 3600645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).