2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole

C19H28F4N2O — CID 155396010

IUPAC2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole
SMILESCOC1CCCCCC1Cn1c(C(F)(F)F)cnc1C1CCC(F)CC1
InChIInChI=1S/C19H28F4N2O/c1-26-16-6-4-2-3-5-14(16)12-25-17(19(21,22)23)11-24-18(25)13-7-9-15(20)10-8-13/h11,13-16H,2-10,12H2,1H3
InChIKeyVPULIRRXLCOKOI-UHFFFAOYSA-N
MW376.44 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole

2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole (PubChem CID 155396010) has the molecular formula C19H28F4N2O and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole
PubChem CID155396010
Molecular FormulaC19H28F4N2O
Molecular Weight376.44 g/mol
Exact Mass376.21
IUPAC Name2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole
SMILESCOC1CCCCCC1Cn1c(C(F)(F)F)cnc1C1CCC(F)CC1
InChIInChI=1S/C19H28F4N2O/c1-26-16-6-4-2-3-5-14(16)12-25-17(19(21,22)23)11-24-18(25)13-7-9-15(20)10-8-13/h11,13-16H,2-10,12H2,1H3
InChIKeyVPULIRRXLCOKOI-UHFFFAOYSA-N
XLogP5.49
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
CID 170316900
(4,4-Difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
CID 174754336
(2-Tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol
CID 174754339
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
CID 176105328
1-[(4-Methoxycyclohexyl)methyl]-5-methylimidazole
CID 116798975
1-(2-Cyclopropyloxan-4-yl)-5-methylimidazole
CID 116798998

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole?
The IUPAC name of 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole (CID 155396010) is 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole is COC1CCCCCC1Cn1c(C(F)(F)F)cnc1C1CCC(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole?
The InChIKey is VPULIRRXLCOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F4N2O/c1-26-16-6-4-2-3-5-14(16)12-25-17(19(21,22)23)11-24-18(25)13-7-9-15(20)10-8-13/h11,13-16H,2-10,12H2,1H3.
What are the key properties of 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole?
2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole has a molecular weight of 376.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole is sourced from PubChem (CID 155396010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).