5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole

C16H19F3N2O — CID 10828898

IUPAC5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(CCCOCCCc2cnc[nH]2)cc1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)14-7-5-13(6-8-14)3-1-9-22-10-2-4-15-11-20-12-21-15/h5-8,11-12H,1-4,9-10H2,(H,20,21)
InChIKeyGGHGINUQTYSNFI-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.01
Rot. Bonds8

About 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole

5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole (PubChem CID 10828898) has the molecular formula C16H19F3N2O and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole.

Molecular Properties

Compound Name5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
PubChem CID10828898
Molecular FormulaC16H19F3N2O
Molecular Weight312.33 g/mol
Exact Mass312.14
IUPAC Name5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(CCCOCCCc2cnc[nH]2)cc1
InChIInChI=1S/C16H19F3N2O/c17-16(18,19)14-7-5-13(6-8-14)3-1-9-22-10-2-4-15-11-20-12-21-15/h5-8,11-12H,1-4,9-10H2,(H,20,21)
InChIKeyGGHGINUQTYSNFI-UHFFFAOYSA-N
XLogP4.01
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.01
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

1-[3-(1H-imidazol-5-yl)propoxy]-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 23219067
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
1-(3-pentoxypropyl)-4-(trifluoromethyl)benzene
CID 91401204
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]methanethiol
CID 87662551
2-[3-(1H-imidazol-5-yl)propoxy]acetic acid;hydrochloride
CID 19766310
N-[2-(1H-imidazol-5-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 65230871
5-[2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 91318795
N-[2-(1H-imidazol-5-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 10083717
3-(1H-imidazol-5-yl)propyl N-(trifluoromethyl)carbamate
CID 19710619
5-[[3-(trifluoromethyl)phenyl]methoxymethyl]-1H-imidazole
CID 10658713
3-(1H-imidazol-5-yl)propyl 3-(4-iodophenyl)propanoate
CID 10620015

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole?
The IUPAC name of 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole (CID 10828898) is 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole.
What is the SMILES notation for 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole?
The canonical SMILES for 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole is FC(F)(F)c1ccc(CCCOCCCc2cnc[nH]2)cc1.
What is the InChIKey of 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole?
The InChIKey is GGHGINUQTYSNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c17-16(18,19)14-7-5-13(6-8-14)3-1-9-22-10-2-4-15-11-20-12-21-15/h5-8,11-12H,1-4,9-10H2,(H,20,21).
What are the key properties of 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole?
5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole has a molecular weight of 312.33 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[4-(trifluoromethyl)phenyl]propoxy]propyl]-1H-imidazole is sourced from PubChem (CID 10828898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).