4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

C18H14F3N7O4S — CID 90928258

IUPAC4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H14F3N7O4S/c1-10-16(29)28(12-2-4-13(5-3-12)33(31,32)18(19,20)21)17(30)27(10)9-11-6-7-22-14(8-11)15-23-25-26-24-15/h2-8,29H,9H2,1H3,(H,23,24,25,26)
InChIKeyZLPFTENRJJJTIC-UHFFFAOYSA-N
MW481.42 g/mol
LogP1.57
Rot. Bonds5

About 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one

4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (PubChem CID 90928258) has the molecular formula C18H14F3N7O4S and a molecular weight of 481.42 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
PubChem CID90928258
Molecular FormulaC18H14F3N7O4S
Molecular Weight481.42 g/mol
Exact Mass481.08
IUPAC Name4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
SMILESCc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H14F3N7O4S/c1-10-16(29)28(12-2-4-13(5-3-12)33(31,32)18(19,20)21)17(30)27(10)9-11-6-7-22-14(8-11)15-23-25-26-24-15/h2-8,29H,9H2,1H3,(H,23,24,25,26)
InChIKeyZLPFTENRJJJTIC-UHFFFAOYSA-N
XLogP1.57
TPSA148.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.42
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

5-methyl-1-[[2-(2H-tetrazol-5-yl)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68446405
5,5-dimethyl-1-[[3-(2H-tetrazol-5-yl)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68446677
1-[[2-(2H-tetrazol-5-yl)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68446704
5-methyl-1-[[3-(2H-tetrazol-5-yl)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68447242
4-[[2,4-Dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 68448050
1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 68448128
5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione
CID 68448189
4-[[5-Methyl-2,4-dioxo-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidin-1-yl]methyl]pyridine-2-carboximidamide
CID 68448272
4-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-6-[4-(trifluoromethylsulfonyl)phenyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
CID 68448404
1-[[3-(2H-tetrazol-5-yl)pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68448555
1-[[2-[(Dimethylamino)methyl]pyridin-4-yl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68448853
1-[(2-Methylpyridin-4-yl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazolidine-2,4-dione
CID 68449279

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one (CID 90928258) is 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is Cc1c(O)n(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)c(=O)n1Cc1ccnc(-c2nn[nH]n2)c1.
What is the InChIKey of 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
The InChIKey is ZLPFTENRJJJTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N7O4S/c1-10-16(29)28(12-2-4-13(5-3-12)33(31,32)18(19,20)21)17(30)27(10)9-11-6-7-22-14(8-11)15-23-25-26-24-15/h2-8,29H,9H2,1H3,(H,23,24,25,26).
What are the key properties of 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one?
4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one has a molecular weight of 481.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1-[[2-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one is sourced from PubChem (CID 90928258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).