2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine

C20H16ClF4N3O2 — CID 134396695

IUPAC2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine
SMILESC=C(C)OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H16ClF4N3O2/c1-12(2)29-17(10-28-11-26-9-18(28)22)15-8-27-19(7-16(15)20(23,24)25)30-14-5-3-13(21)4-6-14/h3-9,11,17H,1,10H2,2H3
InChIKeyVLGZBRXDJXILDU-UHFFFAOYSA-N
MW441.81 g/mol
LogP6.17
Rot. Bonds7

About 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine

2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine (PubChem CID 134396695) has the molecular formula C20H16ClF4N3O2 and a molecular weight of 441.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine
PubChem CID134396695
Molecular FormulaC20H16ClF4N3O2
Molecular Weight441.81 g/mol
Exact Mass441.09
IUPAC Name2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine
SMILESC=C(C)OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F
InChIInChI=1S/C20H16ClF4N3O2/c1-12(2)29-17(10-28-11-26-9-18(28)22)15-8-27-19(7-16(15)20(23,24)25)30-14-5-3-13(21)4-6-14/h3-9,11,17H,1,10H2,2H3
InChIKeyVLGZBRXDJXILDU-UHFFFAOYSA-N
XLogP6.17
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.81
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

5-[3-[2-(4-chlorophenoxy)ethyl]imidazol-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 46980382
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
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-[[6-(4-chlorophenoxy)-3-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
CID 56677222
(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-(4-chlorophenoxy)-4-pyridinyl]-imidazol-1-ylmethylidene]hydroxylamine
CID 136099375
(NZ)-N-[[2-(3-chloro-4-fluorophenoxy)-4-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
CID 136207993
(NZ)-N-[[2-(4-chlorophenoxy)-4-pyridinyl]-(2-methylimidazol-1-yl)methylidene]hydroxylamine
CID 136208072
3-(4-Chlorophenoxy)-1-[(6-fluoro-2-pyridinyl)oxy]-1-imidazol-1-yl-3-methylbutan-2-one
CID 20207312

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine (CID 134396695) is 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine is C=C(C)OC(Cn1cncc1F)c1cnc(Oc2ccc(Cl)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine?
The InChIKey is VLGZBRXDJXILDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF4N3O2/c1-12(2)29-17(10-28-11-26-9-18(28)22)15-8-27-19(7-16(15)20(23,24)25)30-14-5-3-13(21)4-6-14/h3-9,11,17H,1,10H2,2H3.
What are the key properties of 2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine?
2-(4-chlorophenoxy)-5-[2-(5-fluoroimidazol-1-yl)-1-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 441.81 g/mol, XLogP of 6.17, 7 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-prop-1-en-2-yloxyethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 134396695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).