5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole

C14H15F3N2O — CID 21193524

IUPAC5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
SMILESCC(CCc1cnc[nH]1)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-10(5-6-12-8-18-9-19-12)20-13-4-2-3-11(7-13)14(15,16)17/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeyHAJQPFJOJCTPFN-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.83
Rot. Bonds5

About 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole

5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole (PubChem CID 21193524) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
PubChem CID21193524
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
SMILESCC(CCc1cnc[nH]1)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-10(5-6-12-8-18-9-19-12)20-13-4-2-3-11(7-13)14(15,16)17/h2-4,7-10H,5-6H2,1H3,(H,18,19)
InChIKeyHAJQPFJOJCTPFN-UHFFFAOYSA-N
XLogP3.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
The IUPAC name of 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole (CID 21193524) is 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
The canonical SMILES for 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole is CC(CCc1cnc[nH]1)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
The InChIKey is HAJQPFJOJCTPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-10(5-6-12-8-18-9-19-12)20-13-4-2-3-11(7-13)14(15,16)17/h2-4,7-10H,5-6H2,1H3,(H,18,19).
What are the key properties of 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole has a molecular weight of 284.28 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole is sourced from PubChem (CID 21193524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).