5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one

C20H23F3N4O2S — CID 134524792

IUPAC5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCS(C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(=O)[nH]c2)nc1
InChIInChI=1S/C20H23F3N4O2S/c1-30(2,3)9-8-29-13-27-12-17(20(21,22)23)26-19(27)15-4-6-16(24-11-15)14-5-7-18(28)25-10-14/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyCALQWZKKBWFMPV-UHFFFAOYSA-N
MW440.49 g/mol
LogP3.99
Rot. Bonds7

About 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one

5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 134524792) has the molecular formula C20H23F3N4O2S and a molecular weight of 440.49 g/mol. Its IUPAC name is 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
PubChem CID134524792
Molecular FormulaC20H23F3N4O2S
Molecular Weight440.49 g/mol
Exact Mass440.15
IUPAC Name5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one
SMILESCS(C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(=O)[nH]c2)nc1
InChIInChI=1S/C20H23F3N4O2S/c1-30(2,3)9-8-29-13-27-12-17(20(21,22)23)26-19(27)15-4-6-16(24-11-15)14-5-7-18(28)25-10-14/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28)
InChIKeyCALQWZKKBWFMPV-UHFFFAOYSA-N
XLogP3.99
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one (CID 134524792) is 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one is CS(C)(C)CCOCn1cc(C(F)(F)F)nc1-c1ccc(-c2ccc(=O)[nH]c2)nc1.
What is the InChIKey of 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is CALQWZKKBWFMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2S/c1-30(2,3)9-8-29-13-27-12-17(20(21,22)23)26-19(27)15-4-6-16(24-11-15)14-5-7-18(28)25-10-14/h4-7,10-12H,8-9,13H2,1-3H3,(H,25,28).
What are the key properties of 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one?
5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 440.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(trifluoromethyl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]imidazol-2-yl]-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 134524792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).