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

C18H19N3O — CID 2238398

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O/c1-13-6-2-4-8-16(13)21-18(22)19-11-10-14-12-20-17-9-5-3-7-15(14)17/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)
InChIKeyHIDVIEJKWAUXHX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.84
Rot. Bonds4

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

1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 2238398) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
PubChem CID2238398
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
SMILESCc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O/c1-13-6-2-4-8-16(13)21-18(22)19-11-10-14-12-20-17-9-5-3-7-15(14)17/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22)
InChIKeyHIDVIEJKWAUXHX-UHFFFAOYSA-N
XLogP3.84
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
N'-(2,5-dimethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 50969885
1-[2-(1H-indol-3-yl)ethyl]-3-(3,4,5-trihydroxyphenyl)urea
CID 108871937
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
ethyl 4-[2-(1H-indol-3-yl)ethylcarbamoylamino]benzoate
CID 3294700
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109261239
1-(3,5-difluorophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 20757249
1-(3,5-dibromophenyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 155514959
N-[3-[2-(1H-indol-3-yl)ethylcarbamoylamino]-4-methoxyphenyl]acetamide
CID 55695694
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 8554460
1-[2-(1H-indol-3-yl)ethyl]-3-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]urea
CID 55697472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea (CID 2238398) is 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea is Cc1ccccc1NC(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is HIDVIEJKWAUXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-6-2-4-8-16(13)21-18(22)19-11-10-14-12-20-17-9-5-3-7-15(14)17/h2-9,12,20H,10-11H2,1H3,(H2,19,21,22).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea?
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 293.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 2238398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).