[5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol

C12H18F3N3O2S — CID 126841711

IUPAC[5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cnc(SC(F)(F)F)n1C
InChIInChI=1S/C12H18F3N3O2S/c1-8-7-20-10(6-19)5-18(8)4-9-3-16-11(17(9)2)21-12(13,14)15/h3,8,10,19H,4-7H2,1-2H3
InChIKeyVMTDJBCPGIOXSN-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.61
Rot. Bonds4

About [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol

[5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol (PubChem CID 126841711) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol
PubChem CID126841711
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC Name[5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1cnc(SC(F)(F)F)n1C
InChIInChI=1S/C12H18F3N3O2S/c1-8-7-20-10(6-19)5-18(8)4-9-3-16-11(17(9)2)21-12(13,14)15/h3,8,10,19H,4-7H2,1-2H3
InChIKeyVMTDJBCPGIOXSN-UHFFFAOYSA-N
XLogP1.61
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol (CID 126841711) is [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol is CC1COC(CO)CN1Cc1cnc(SC(F)(F)F)n1C.
What is the InChIKey of [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol?
The InChIKey is VMTDJBCPGIOXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-8-7-20-10(6-19)5-18(8)4-9-3-16-11(17(9)2)21-12(13,14)15/h3,8,10,19H,4-7H2,1-2H3.
What are the key properties of [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol?
[5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol has a molecular weight of 325.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-[[3-methyl-2-(trifluoromethylsulfanyl)imidazol-4-yl]methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 126841711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).