2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine

C18H14ClF4N3O2 — CID 134396592

IUPAC2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine
SMILESCOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF4N3O2/c1-27-15(9-26-10-24-8-16(26)20)13-7-25-17(6-14(13)18(21,22)23)28-12-4-2-11(19)3-5-12/h2-8,10,15H,9H2,1H3
InChIKeyAMNUMUHTFRICLC-UHFFFAOYSA-N
MW415.77 g/mol
LogP5.27
Rot. Bonds6

About 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine

2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine (PubChem CID 134396592) has the molecular formula C18H14ClF4N3O2 and a molecular weight of 415.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine
PubChem CID134396592
Molecular FormulaC18H14ClF4N3O2
Molecular Weight415.77 g/mol
Exact Mass415.07
IUPAC Name2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine
SMILESCOC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H14ClF4N3O2/c1-27-15(9-26-10-24-8-16(26)20)13-7-25-17(6-14(13)18(21,22)23)28-12-4-2-11(19)3-5-12/h2-8,10,15H,9H2,1H3
InChIKeyAMNUMUHTFRICLC-UHFFFAOYSA-N
XLogP5.27
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.77
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-(4-chloro-2-fluorophenoxy) ethoxy)-2-(2-methyl-1H-imidazol-1-yl)pyridine
CID 138471392
4-(2-(4-chlorophenoxy) ethoxy)-2-(2-methyl-1H-imidazol-1-yl)pyridine
CID 138471334
3-Chloro-2-(4-imidazol-1-ylphenoxy)-5-(trifluoromethyl)pyridine
CID 172435318
2-[(4-Chlorophenoxy)methyl]-8-(6-methoxy-3-pyridinyl)-6-methylimidazo[1,2-c]pyrimidin-5-one
CID 134807379
(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
CID 56661582
(NZ)-N-[[2-(4-chlorophenoxy)-6-methyl-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
CID 56672926
(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
CID 56677222
(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-6-methyl-3-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
CID 56679043
(NZ)-N-[[6-(4-chlorophenoxy)-3-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
CID 56682232
3-{2-[2-(2,3-difluoro-4-methoxyphenyl)-1H-imidazol-1-yl]-1-methylethoxy}pyridine
CID 56863863
(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-4-pyridinyl]-(4-methylimidazol-1-yl)methylidene]hydroxylamine
CID 136099314
(NZ)-N-[[2-(4-chlorophenoxy)-4-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
CID 136099375

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine (CID 134396592) is 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine is COC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is AMNUMUHTFRICLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF4N3O2/c1-27-15(9-26-10-24-8-16(26)20)13-7-25-17(6-14(13)18(21,22)23)28-12-4-2-11(19)3-5-12/h2-8,10,15H,9H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine?
2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 415.77 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-methoxyethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134396592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).