[3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate

C14H13FN2O2 — CID 174584643

IUPAC[3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate
SMILESCC(=O)Oc1cncn1C1CCc2cc(F)ccc21
InChIInChI=1S/C14H13FN2O2/c1-9(18)19-14-7-16-8-17(14)13-5-2-10-6-11(15)3-4-12(10)13/h3-4,6-8,13H,2,5H2,1H3
InChIKeyKXZGINFJTNSSHU-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.48
Rot. Bonds2

About [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate

[3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate (PubChem CID 174584643) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate.

Molecular Properties

Compound Name[3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate
PubChem CID174584643
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name[3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate
SMILESCC(=O)Oc1cncn1C1CCc2cc(F)ccc21
InChIInChI=1S/C14H13FN2O2/c1-9(18)19-14-7-16-8-17(14)13-5-2-10-6-11(15)3-4-12(10)13/h3-4,6-8,13H,2,5H2,1H3
InChIKeyKXZGINFJTNSSHU-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate?
The IUPAC name of [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate (CID 174584643) is [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate.
What is the SMILES notation for [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate?
The canonical SMILES for [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate is CC(=O)Oc1cncn1C1CCc2cc(F)ccc21.
What is the InChIKey of [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate?
The InChIKey is KXZGINFJTNSSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9(18)19-14-7-16-8-17(14)13-5-2-10-6-11(15)3-4-12(10)13/h3-4,6-8,13H,2,5H2,1H3.
What are the key properties of [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate?
[3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate has a molecular weight of 260.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-2,3-dihydro-1H-inden-1-yl)imidazol-4-yl] acetate is sourced from PubChem (CID 174584643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).