3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole

C15H17N3 — CID 134268652

IUPAC3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
SMILESCCc1cncn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3/c1-2-13-10-16-11-18(13)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-11,17H,2,7-8H2,1H3
InChIKeyQHOONXKBTRPHIN-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.17
Rot. Bonds4

About 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole

3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole (PubChem CID 134268652) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
PubChem CID134268652
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole
SMILESCCc1cncn1CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H17N3/c1-2-13-10-16-11-18(13)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-11,17H,2,7-8H2,1H3
InChIKeyQHOONXKBTRPHIN-UHFFFAOYSA-N
XLogP3.17
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1H-indole;methanamine
CID 142222050
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
3-[2-(3-propan-2-yl-5-pyrimidin-5-ylpyrazol-1-yl)ethyl]-1H-indole
CID 175489562
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
[3-[2-(1H-indol-3-yl)ethyl]triazol-4-yl] acetate
CID 175264524
6-bromo-2-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,2,4-triazine-3,5-dione
CID 67159276
3-heptyl-1H-indole
CID 15360907
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-ethyl-1H-quinolin-4-one
CID 10374897
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
CID 91300880
5-(1-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]-1-methylimidazolidine-2,4-dione
CID 167774874

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole?
The IUPAC name of 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole (CID 134268652) is 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole.
What is the SMILES notation for 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole?
The canonical SMILES for 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole is CCc1cncn1CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole?
The InChIKey is QHOONXKBTRPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-13-10-16-11-18(13)8-7-12-9-17-15-6-4-3-5-14(12)15/h3-6,9-11,17H,2,7-8H2,1H3.
What are the key properties of 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole?
3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole has a molecular weight of 239.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-ethylimidazol-1-yl)ethyl]-1H-indole is sourced from PubChem (CID 134268652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).