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

C17H12F3N7O2S — CID 90970691

IUPAC4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESO=c1n(Cc2ccncc2-c2nn[nH]n2)cc(O)n1-c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C17H12F3N7O2S/c18-17(19,20)30-12-3-1-11(2-4-12)27-14(28)9-26(16(27)29)8-10-5-6-21-7-13(10)15-22-24-25-23-15/h1-7,9,28H,8H2,(H,22,23,24,25)
InChIKeyASWIMDNVKWJLSN-UHFFFAOYSA-N
MW435.39 g/mol
LogP2.58
Rot. Bonds5

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

4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (PubChem CID 90970691) has the molecular formula C17H12F3N7O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
PubChem CID90970691
Molecular FormulaC17H12F3N7O2S
Molecular Weight435.39 g/mol
Exact Mass435.07
IUPAC Name4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
SMILESO=c1n(Cc2ccncc2-c2nn[nH]n2)cc(O)n1-c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C17H12F3N7O2S/c18-17(19,20)30-12-3-1-11(2-4-12)27-14(28)9-26(16(27)29)8-10-5-6-21-7-13(10)15-22-24-25-23-15/h1-7,9,28H,8H2,(H,22,23,24,25)
InChIKeyASWIMDNVKWJLSN-UHFFFAOYSA-N
XLogP2.58
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-hydroxy-1-[[3-(4-methoxyphenyl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91241210
4-hydroxy-1-[(3-piperidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 90889434
1-(4-chlorophenyl)-3-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-3-pyridinyl]urea
CID 90884770
1-[[3-(4-chlorophenyl)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91231753
1-[[3-(4-chlorophenyl)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethoxy)phenyl]imidazol-2-one
CID 91243385
1-[(3-tert-butyl-4-pyridinyl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91360287
4-hydroxy-1-[(3-pyrazol-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 90997025
4-hydroxy-1-(1-pyridin-4-ylpropyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91092155
N-[4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-pyridinyl]methanesulfonamide
CID 91578507
4-[[4-hydroxy-2-oxo-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-1-yl]methyl]-2-(sulfamoylamino)pyridine
CID 91185410
1-[[3-(ethylamino)-4-pyridinyl]methyl]-4-hydroxy-3-[4-(trifluoromethylsulfonyl)phenyl]imidazol-2-one
CID 91164387
1-[(3-aminoquinolin-4-yl)methyl]-4-hydroxy-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one
CID 91475025

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The IUPAC name of 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one (CID 90970691) is 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one.
What is the SMILES notation for 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The canonical SMILES for 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is O=c1n(Cc2ccncc2-c2nn[nH]n2)cc(O)n1-c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
The InChIKey is ASWIMDNVKWJLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2S/c18-17(19,20)30-12-3-1-11(2-4-12)27-14(28)9-26(16(27)29)8-10-5-6-21-7-13(10)15-22-24-25-23-15/h1-7,9,28H,8H2,(H,22,23,24,25).
What are the key properties of 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one?
4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one has a molecular weight of 435.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[[3-(2H-tetrazol-5-yl)-4-pyridinyl]methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]imidazol-2-one is sourced from PubChem (CID 90970691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).