[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol

C19H19FN4O5S — CID 90783881

IUPAC[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol
SMILESCS(=O)(=O)c1nccc(-c2[nH]c(C3(CO)OCCCO3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN4O5S/c1-30(26,27)18-21-8-7-14(22-18)16-15(12-3-5-13(20)6-4-12)23-17(24-16)19(11-25)28-9-2-10-29-19/h3-8,25H,2,9-11H2,1H3,(H,23,24)
InChIKeyANAXIKUASQUDKH-UHFFFAOYSA-N
MW434.45 g/mol
LogP1.66
Rot. Bonds5

About [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol

[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol (PubChem CID 90783881) has the molecular formula C19H19FN4O5S and a molecular weight of 434.45 g/mol. Its IUPAC name is [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol
PubChem CID90783881
Molecular FormulaC19H19FN4O5S
Molecular Weight434.45 g/mol
Exact Mass434.11
IUPAC Name[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol
SMILESCS(=O)(=O)c1nccc(-c2[nH]c(C3(CO)OCCCO3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C19H19FN4O5S/c1-30(26,27)18-21-8-7-14(22-18)16-15(12-3-5-13(20)6-4-12)23-17(24-16)19(11-25)28-9-2-10-29-19/h3-8,25H,2,9-11H2,1H3,(H,23,24)
InChIKeyANAXIKUASQUDKH-UHFFFAOYSA-N
XLogP1.66
TPSA127.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
CID 22254941
5-(ethoxymethyl)-3-(4-fluorophenyl)-4-(2-methylsulfonylpyrimidin-4-yl)-1,2-oxazole
CID 23435661
N-[[2-[4-(4-fluorophenyl)-5-[2-(3-hydroxypropylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]methanesulfonamide
CID 22254694
7-(2-anilinopyrimidin-4-yl)-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one;6-(4-fluorophenyl)-7-(2-methylsulfonylpyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
CID 159323811
[2-[4-(4-fluorophenyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
CID 22255516
2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 68676687
N-[4-[2-(1,3-dioxan-2-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 22255370
3-[[4-[4-(4-fluorophenyl)-2-[5-methyl-5-(piperidine-1-carbonyl)-1,3-dioxan-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]amino]propanoic acid
CID 22255427
2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 159993594
N-[[2-[5-[2-(2-aminoethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]methanesulfonamide
CID 22255141
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium
CID 58869534
N-[[2-[4-(4-fluorophenyl)-5-(2-phenoxypyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methyl]methanesulfonamide
CID 22255386

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol?
The IUPAC name of [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol (CID 90783881) is [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol.
What is the SMILES notation for [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol?
The canonical SMILES for [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol is CS(=O)(=O)c1nccc(-c2[nH]c(C3(CO)OCCCO3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol?
The InChIKey is ANAXIKUASQUDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O5S/c1-30(26,27)18-21-8-7-14(22-18)16-15(12-3-5-13(20)6-4-12)23-17(24-16)19(11-25)28-9-2-10-29-19/h3-8,25H,2,9-11H2,1H3,(H,23,24).
What are the key properties of [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol?
[2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol has a molecular weight of 434.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-fluorophenyl)-5-(2-methylsulfonylpyrimidin-4-yl)-1H-imidazol-2-yl]-1,3-dioxan-2-yl]methanol is sourced from PubChem (CID 90783881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).