1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole

C24H25F3N2O2 — CID 155935438

IUPAC1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole
SMILESCOC1(c2cccc(OCc3ccc(-n4ccnc4C(F)(F)F)cc3)c2)CCCCC1
InChIInChI=1S/C24H25F3N2O2/c1-30-23(12-3-2-4-13-23)19-6-5-7-21(16-19)31-17-18-8-10-20(11-9-18)29-15-14-28-22(29)24(25,26)27/h5-11,14-16H,2-4,12-13,17H2,1H3
InChIKeyPWZWNWWAPMRRAJ-UHFFFAOYSA-N
MW430.47 g/mol
LogP6.28
Rot. Bonds6

About 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole

1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole (PubChem CID 155935438) has the molecular formula C24H25F3N2O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole
PubChem CID155935438
Molecular FormulaC24H25F3N2O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole
SMILESCOC1(c2cccc(OCc3ccc(-n4ccnc4C(F)(F)F)cc3)c2)CCCCC1
InChIInChI=1S/C24H25F3N2O2/c1-30-23(12-3-2-4-13-23)19-6-5-7-21(16-19)31-17-18-8-10-20(11-9-18)29-15-14-28-22(29)24(25,26)27/h5-11,14-16H,2-4,12-13,17H2,1H3
InChIKeyPWZWNWWAPMRRAJ-UHFFFAOYSA-N
XLogP6.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole?
The IUPAC name of 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole (CID 155935438) is 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole?
The canonical SMILES for 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole is COC1(c2cccc(OCc3ccc(-n4ccnc4C(F)(F)F)cc3)c2)CCCCC1.
What is the InChIKey of 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole?
The InChIKey is PWZWNWWAPMRRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O2/c1-30-23(12-3-2-4-13-23)19-6-5-7-21(16-19)31-17-18-8-10-20(11-9-18)29-15-14-28-22(29)24(25,26)27/h5-11,14-16H,2-4,12-13,17H2,1H3.
What are the key properties of 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole?
1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole has a molecular weight of 430.47 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(1-methoxycyclohexyl)phenoxy]methyl]phenyl]-2-(trifluoromethyl)imidazole is sourced from PubChem (CID 155935438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).