1-benzyl-3-(2-indol-1-ylethyl)urea

C18H19N3O — CID 110748972

IUPAC1-benzyl-3-(2-indol-1-ylethyl)urea
SMILESO=C(NCCn1ccc2ccccc21)NCc1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(20-14-15-6-2-1-3-7-15)19-11-13-21-12-10-16-8-4-5-9-17(16)21/h1-10,12H,11,13-14H2,(H2,19,20,22)
InChIKeyJJMCLUJCBHEJPX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.14
Rot. Bonds5

About 1-benzyl-3-(2-indol-1-ylethyl)urea

1-benzyl-3-(2-indol-1-ylethyl)urea (PubChem CID 110748972) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-benzyl-3-(2-indol-1-ylethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-indol-1-ylethyl)urea
PubChem CID110748972
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-benzyl-3-(2-indol-1-ylethyl)urea
SMILESO=C(NCCn1ccc2ccccc21)NCc1ccccc1
InChIInChI=1S/C18H19N3O/c22-18(20-14-15-6-2-1-3-7-15)19-11-13-21-12-10-16-8-4-5-9-17(16)21/h1-10,12H,11,13-14H2,(H2,19,20,22)
InChIKeyJJMCLUJCBHEJPX-UHFFFAOYSA-N
XLogP3.14
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(2-indol-1-ylethyl)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-(dimethylamino)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 52546228
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-indol-1-ylpropyl)urea
CID 110911712
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
1-(2-phenylethyl)indole
CID 12601752
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
1,1-diethyl-3-(2-indol-1-ylethyl)urea
CID 108726423
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-benzyl-3-[2-(2,5-dimethylpyrrol-1-yl)ethyl]urea
CID 110747692
N-(2-indol-1-ylethyl)-2-iodobenzamide
CID 3247556
1-(3-indol-1-ylpropyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112806234
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-indol-1-ylethyl)urea?
The IUPAC name of 1-benzyl-3-(2-indol-1-ylethyl)urea (CID 110748972) is 1-benzyl-3-(2-indol-1-ylethyl)urea.
What is the SMILES notation for 1-benzyl-3-(2-indol-1-ylethyl)urea?
The canonical SMILES for 1-benzyl-3-(2-indol-1-ylethyl)urea is O=C(NCCn1ccc2ccccc21)NCc1ccccc1.
What is the InChIKey of 1-benzyl-3-(2-indol-1-ylethyl)urea?
The InChIKey is JJMCLUJCBHEJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(20-14-15-6-2-1-3-7-15)19-11-13-21-12-10-16-8-4-5-9-17(16)21/h1-10,12H,11,13-14H2,(H2,19,20,22).
What are the key properties of 1-benzyl-3-(2-indol-1-ylethyl)urea?
1-benzyl-3-(2-indol-1-ylethyl)urea has a molecular weight of 293.37 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-indol-1-ylethyl)urea is sourced from PubChem (CID 110748972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).