1-ethyl-3-(1-ethylimidazol-2-yl)indole

C15H17N3 — CID 110540406

IUPAC1-ethyl-3-(1-ethylimidazol-2-yl)indole
SMILESCCn1ccnc1-c1cn(CC)c2ccccc12
InChIInChI=1S/C15H17N3/c1-3-17-10-9-16-15(17)13-11-18(4-2)14-8-6-5-7-12(13)14/h5-11H,3-4H2,1-2H3
InChIKeyTVAKBCHKFLDYMU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds3

About 1-ethyl-3-(1-ethylimidazol-2-yl)indole

1-ethyl-3-(1-ethylimidazol-2-yl)indole (PubChem CID 110540406) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-ethyl-3-(1-ethylimidazol-2-yl)indole.

Molecular Properties

Compound Name1-ethyl-3-(1-ethylimidazol-2-yl)indole
PubChem CID110540406
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-ethyl-3-(1-ethylimidazol-2-yl)indole
SMILESCCn1ccnc1-c1cn(CC)c2ccccc12
InChIInChI=1S/C15H17N3/c1-3-17-10-9-16-15(17)13-11-18(4-2)14-8-6-5-7-12(13)14/h5-11H,3-4H2,1-2H3
InChIKeyTVAKBCHKFLDYMU-UHFFFAOYSA-N
XLogP3.54
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-(2-methylphenyl)imidazole
CID 110540780
4-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 16750666
2,6-bis(1-ethylimidazol-2-yl)pyridine;cobalt(3+);trichloride
CID 70011500
2-(1-ethylimidazol-2-yl)-6-fluoroaniline
CID 107602831
1-ethyl-3-[4-ethyl-5-(2-phenoxyethylsulfanyl)-1,2,4-triazol-3-yl]indole
CID 21381047
5-(1-ethylimidazol-2-yl)-6-methylpyridin-2-amine
CID 79048986
2-(1-ethylimidazol-2-yl)-6-pyridin-2-ylpyridine
CID 70693432
3-(1-ethylimidazol-2-yl)-4-methylaniline
CID 63974560
1-ethyl-3-[5-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]indole
CID 21380992
1-[(1-ethylimidazol-2-yl)methyl]-4-methylindole
CID 116620242
1-ethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 75366172
[1-[2-(2-methylimidazol-1-yl)ethyl]indol-3-yl]methanol
CID 66398666

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-ethylimidazol-2-yl)indole?
The IUPAC name of 1-ethyl-3-(1-ethylimidazol-2-yl)indole (CID 110540406) is 1-ethyl-3-(1-ethylimidazol-2-yl)indole.
What is the SMILES notation for 1-ethyl-3-(1-ethylimidazol-2-yl)indole?
The canonical SMILES for 1-ethyl-3-(1-ethylimidazol-2-yl)indole is CCn1ccnc1-c1cn(CC)c2ccccc12.
What is the InChIKey of 1-ethyl-3-(1-ethylimidazol-2-yl)indole?
The InChIKey is TVAKBCHKFLDYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-17-10-9-16-15(17)13-11-18(4-2)14-8-6-5-7-12(13)14/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-(1-ethylimidazol-2-yl)indole?
1-ethyl-3-(1-ethylimidazol-2-yl)indole has a molecular weight of 239.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-ethylimidazol-2-yl)indole is sourced from PubChem (CID 110540406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).