(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate

C15H9F3N2O2 — CID 67268737

IUPAC(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncc(-c2ccc3ccccc3c2)[nH]1)C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)13(21)22-14-19-8-12(20-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,19,20)
InChIKeyJZFNOVKYWKEXSK-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.70
Rot. Bonds2

About (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate

(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate (PubChem CID 67268737) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate
PubChem CID67268737
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate
SMILESO=C(Oc1ncc(-c2ccc3ccccc3c2)[nH]1)C(F)(F)F
InChIInChI=1S/C15H9F3N2O2/c16-15(17,18)13(21)22-14-19-8-12(20-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,19,20)
InChIKeyJZFNOVKYWKEXSK-UHFFFAOYSA-N
XLogP3.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The IUPAC name of (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate (CID 67268737) is (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The canonical SMILES for (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate is O=C(Oc1ncc(-c2ccc3ccccc3c2)[nH]1)C(F)(F)F.
What is the InChIKey of (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate?
The InChIKey is JZFNOVKYWKEXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c16-15(17,18)13(21)22-14-19-8-12(20-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,19,20).
What are the key properties of (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate?
(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate has a molecular weight of 306.24 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 67268737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).