3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole

C13H12FN3 — CID 138691366

IUPAC3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole
SMILESCCn1cncc1-c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H12FN3/c1-2-17-8-15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-8,16H,2H2,1H3
InChIKeyOSQZSGVXQCMNOL-UHFFFAOYSA-N
MW229.26 g/mol
LogP3.19
Rot. Bonds2

About 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole

3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole (PubChem CID 138691366) has the molecular formula C13H12FN3 and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole.

Molecular Properties

Compound Name3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole
PubChem CID138691366
Molecular FormulaC13H12FN3
Molecular Weight229.26 g/mol
Exact Mass229.10
IUPAC Name3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole
SMILESCCn1cncc1-c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C13H12FN3/c1-2-17-8-15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-8,16H,2H2,1H3
InChIKeyOSQZSGVXQCMNOL-UHFFFAOYSA-N
XLogP3.19
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole?
The IUPAC name of 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole (CID 138691366) is 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole.
What is the SMILES notation for 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole?
The canonical SMILES for 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole is CCn1cncc1-c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole?
The InChIKey is OSQZSGVXQCMNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3/c1-2-17-8-15-7-13(17)11-6-16-12-4-3-9(14)5-10(11)12/h3-8,16H,2H2,1H3.
What are the key properties of 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole?
3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole has a molecular weight of 229.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylimidazol-4-yl)-5-fluoro-1H-indole is sourced from PubChem (CID 138691366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).