1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole

C14H14FN3 — CID 116619782

IUPAC1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole
SMILESCCn1cncc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C14H14FN3/c1-2-17-10-16-8-13(17)9-18-6-5-11-3-4-12(15)7-14(11)18/h3-8,10H,2,9H2,1H3
InChIKeyZVSJXROPTNLGEV-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.05
Rot. Bonds3

About 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole

1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole (PubChem CID 116619782) has the molecular formula C14H14FN3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole.

Molecular Properties

Compound Name1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole
PubChem CID116619782
Molecular FormulaC14H14FN3
Molecular Weight243.28 g/mol
Exact Mass243.12
IUPAC Name1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole
SMILESCCn1cncc1Cn1ccc2ccc(F)cc21
InChIInChI=1S/C14H14FN3/c1-2-17-10-16-8-13(17)9-18-6-5-11-3-4-12(15)7-14(11)18/h3-8,10H,2,9H2,1H3
InChIKeyZVSJXROPTNLGEV-UHFFFAOYSA-N
XLogP3.05
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726
6-fluoro-1-(pyridin-4-ylmethyl)indole
CID 116619843
6-fluoro-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]indole
CID 116619996
6-bromo-1-[(3-methylimidazol-4-yl)methyl]indole
CID 116621978
4-fluoro-2-[(6-fluoroindol-1-yl)methyl]aniline
CID 43443827
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
6-fluoro-1-nonylindole
CID 116619867
1-[(3-ethylimidazol-4-yl)methyl]indole-4-carbaldehyde
CID 66153191
N-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]indol-6-yl]methanamine
CID 102916641
cobalt;1-ethyl-6-fluoroindole
CID 58657570
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438
1-[2-(6-fluoroindol-1-yl)ethyl]pyrazol-3-amine
CID 63316022

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole?
The IUPAC name of 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole (CID 116619782) is 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole.
What is the SMILES notation for 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole?
The canonical SMILES for 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole is CCn1cncc1Cn1ccc2ccc(F)cc21.
What is the InChIKey of 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole?
The InChIKey is ZVSJXROPTNLGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3/c1-2-17-10-16-8-13(17)9-18-6-5-11-3-4-12(15)7-14(11)18/h3-8,10H,2,9H2,1H3.
What are the key properties of 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole?
1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole has a molecular weight of 243.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylimidazol-4-yl)methyl]-6-fluoroindole is sourced from PubChem (CID 116619782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).