2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine

C23H24F3N3O — CID 118134643

IUPAC2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
SMILESCc1ccc(OCC2CCC(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1
InChIInChI=1S/C23H24F3N3O/c1-15-2-9-19(10-3-15)30-14-16-4-6-17(7-5-16)20-11-8-18(12-27-20)22-28-13-21(29-22)23(24,25)26/h2-3,8-13,16-17H,4-7,14H2,1H3,(H,28,29)
InChIKeyWVSLUEZWMPAMDD-UHFFFAOYSA-N
MW415.46 g/mol
LogP6.15
Rot. Bonds5

About 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine

2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine (PubChem CID 118134643) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
PubChem CID118134643
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC Name2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine
SMILESCc1ccc(OCC2CCC(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1
InChIInChI=1S/C23H24F3N3O/c1-15-2-9-19(10-3-15)30-14-16-4-6-17(7-5-16)20-11-8-18(12-27-20)22-28-13-21(29-22)23(24,25)26/h2-3,8-13,16-17H,4-7,14H2,1H3,(H,28,29)
InChIKeyWVSLUEZWMPAMDD-UHFFFAOYSA-N
XLogP6.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine (CID 118134643) is 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine is Cc1ccc(OCC2CCC(c3ccc(-c4ncc(C(F)(F)F)[nH]4)cn3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
The InChIKey is WVSLUEZWMPAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-15-2-9-19(10-3-15)30-14-16-4-6-17(7-5-16)20-11-8-18(12-27-20)22-28-13-21(29-22)23(24,25)26/h2-3,8-13,16-17H,4-7,14H2,1H3,(H,28,29).
What are the key properties of 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine?
2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine has a molecular weight of 415.46 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylphenoxy)methyl]cyclohexyl]-5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 118134643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).