2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide

C22H20F4N4O3 — CID 22255596

IUPAC2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1
InChIInChI=1S/C22H20F4N4O3/c1-21(10-28-20(31)22(24,25)26)11-32-19(33-12-21)18-29-16(13-2-4-15(23)5-3-13)17(30-18)14-6-8-27-9-7-14/h2-9,19H,10-12H2,1H3,(H,28,31)(H,29,30)
InChIKeyNNQMIHBTQOXWRL-UHFFFAOYSA-N
MW464.42 g/mol
LogP4.01
Rot. Bonds5

About 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide (PubChem CID 22255596) has the molecular formula C22H20F4N4O3 and a molecular weight of 464.42 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide
PubChem CID22255596
Molecular FormulaC22H20F4N4O3
Molecular Weight464.42 g/mol
Exact Mass464.15
IUPAC Name2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide
SMILESCC1(CNC(=O)C(F)(F)F)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1
InChIInChI=1S/C22H20F4N4O3/c1-21(10-28-20(31)22(24,25)26)11-32-19(33-12-21)18-29-16(13-2-4-15(23)5-3-13)17(30-18)14-6-8-27-9-7-14/h2-9,19H,10-12H2,1H3,(H,28,31)(H,29,30)
InChIKeyNNQMIHBTQOXWRL-UHFFFAOYSA-N
XLogP4.01
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide with MolForge

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Related Compounds

1-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]-3-pyridin-3-ylthiourea
CID 22254808
3-amino-2-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]-2-methyl-3-oxopropanoic acid
CID 154441980
N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]thiophene-2-sulfonamide
CID 23592265
N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanesulfonamide
CID 22255368
[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-pyrrolidin-1-ylmethanone
CID 22255208
N-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]cyclohexanecarboxamide
CID 23592261
1-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-1-sulfanylurea
CID 57251550
N-[[2-[5-[2-(dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide
CID 22254828
3-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]carbamoylamino]benzoic acid
CID 22255258
4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
CID 22254794
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanone
CID 22255190
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]urea
CID 22255459

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide (CID 22255596) is 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide is CC1(CNC(=O)C(F)(F)F)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide?
The InChIKey is NNQMIHBTQOXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N4O3/c1-21(10-28-20(31)22(24,25)26)11-32-19(33-12-21)18-29-16(13-2-4-15(23)5-3-13)17(30-18)14-6-8-27-9-7-14/h2-9,19H,10-12H2,1H3,(H,28,31)(H,29,30).
What are the key properties of 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide has a molecular weight of 464.42 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]acetamide is sourced from PubChem (CID 22255596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).