5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole

C14H15F3N2O — CID 11391965

IUPAC5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(OCCCCc2cnc[nH]2)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-4-3-6-13(8-11)20-7-2-1-5-12-9-18-10-19-12/h3-4,6,8-10H,1-2,5,7H2,(H,18,19)
InChIKeyHJFMKNJLAXLQIT-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.83
Rot. Bonds6

About 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole

5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole (PubChem CID 11391965) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
PubChem CID11391965
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole
SMILESFC(F)(F)c1cccc(OCCCCc2cnc[nH]2)c1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)11-4-3-6-13(8-11)20-7-2-1-5-12-9-18-10-19-12/h3-4,6,8-10H,1-2,5,7H2,(H,18,19)
InChIKeyHJFMKNJLAXLQIT-UHFFFAOYSA-N
XLogP3.83
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ucl-1390
CID 6421295
4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
Proxyfan
CID 6421522
4-[3-(4-Ethynyl-phenoxy)-propyl]-1H-imidazole
CID 10082417
Imidazole, 4-(2-(2-naphthyloxy)ethyl)-
CID 202200
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
3-(1H-Imidazol-4-yl)propyl 4-methoxyphenyl ether
CID 10681081
4-(3-Phenoxy-propyl)-1H-imidazole with (0.95M)oxalic acid
CID 10774476
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
5-(4-Butoxy-phenyl)-1H-imidazole
CID 11275964
4-[3-(4-Prop-1-ynyl-phenoxy)-propyl]-1H-imidazole
CID 10586136

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
The IUPAC name of 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole (CID 11391965) is 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole.
What is the SMILES notation for 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
The canonical SMILES for 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole is FC(F)(F)c1cccc(OCCCCc2cnc[nH]2)c1.
What is the InChIKey of 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
The InChIKey is HJFMKNJLAXLQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)11-4-3-6-13(8-11)20-7-2-1-5-12-9-18-10-19-12/h3-4,6,8-10H,1-2,5,7H2,(H,18,19).
What are the key properties of 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole?
5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole has a molecular weight of 284.28 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(trifluoromethyl)phenoxy]butyl]-1H-imidazole is sourced from PubChem (CID 11391965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).