5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole

C14H15N3O — CID 80640824

IUPAC5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
SMILESCc1nccn1CCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H15N3O/c1-11-15-6-7-17(11)8-9-18-13-2-3-14-12(10-13)4-5-16-14/h2-7,10,16H,8-9H2,1H3
InChIKeyIGLISQSHEPKPNR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.75
Rot. Bonds4

About 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole

5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole (PubChem CID 80640824) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole.

Molecular Properties

Compound Name5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
PubChem CID80640824
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole
SMILESCc1nccn1CCOc1ccc2[nH]ccc2c1
InChIInChI=1S/C14H15N3O/c1-11-15-6-7-17(11)8-9-18-13-2-3-14-12(10-13)4-5-16-14/h2-7,10,16H,8-9H2,1H3
InChIKeyIGLISQSHEPKPNR-UHFFFAOYSA-N
XLogP2.75
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-2-methylimidazole
CID 82084910
1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
5-heptoxy-1H-indole
CID 80642434
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
2-(1H-indol-5-yloxy)ethanamine
CID 84655544
1H-indol-5-yl-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533855
3-(1H-indol-5-yloxy)propan-1-amine
CID 84662713
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
(1S)-1-[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]ethanol
CID 55191298
5-pent-4-ynoxy-1H-indole
CID 112548784
1-[4-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]propan-1-ol
CID 61493838

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole?
The IUPAC name of 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole (CID 80640824) is 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole.
What is the SMILES notation for 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole?
The canonical SMILES for 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole is Cc1nccn1CCOc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole?
The InChIKey is IGLISQSHEPKPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-15-6-7-17(11)8-9-18-13-2-3-14-12(10-13)4-5-16-14/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole?
5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole has a molecular weight of 241.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylimidazol-1-yl)ethoxy]-1H-indole is sourced from PubChem (CID 80640824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).