2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine

C15H18F3N3OS — CID 141041223

IUPAC2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine
SMILESCC1CNCC(CCn2cc(C(F)(F)F)nc2-c2cccs2)O1
InChIInChI=1S/C15H18F3N3OS/c1-10-7-19-8-11(22-10)4-5-21-9-13(15(16,17)18)20-14(21)12-3-2-6-23-12/h2-3,6,9-11,19H,4-5,7-8H2,1H3
InChIKeyUIBLXUKMYLSXDX-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.40
Rot. Bonds4

About 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine

2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine (PubChem CID 141041223) has the molecular formula C15H18F3N3OS and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine
PubChem CID141041223
Molecular FormulaC15H18F3N3OS
Molecular Weight345.39 g/mol
Exact Mass345.11
IUPAC Name2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine
SMILESCC1CNCC(CCn2cc(C(F)(F)F)nc2-c2cccs2)O1
InChIInChI=1S/C15H18F3N3OS/c1-10-7-19-8-11(22-10)4-5-21-9-13(15(16,17)18)20-14(21)12-3-2-6-23-12/h2-3,6,9-11,19H,4-5,7-8H2,1H3
InChIKeyUIBLXUKMYLSXDX-UHFFFAOYSA-N
XLogP3.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine?
The IUPAC name of 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine (CID 141041223) is 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine?
The canonical SMILES for 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine is CC1CNCC(CCn2cc(C(F)(F)F)nc2-c2cccs2)O1.
What is the InChIKey of 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine?
The InChIKey is UIBLXUKMYLSXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3OS/c1-10-7-19-8-11(22-10)4-5-21-9-13(15(16,17)18)20-14(21)12-3-2-6-23-12/h2-3,6,9-11,19H,4-5,7-8H2,1H3.
What are the key properties of 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine?
2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine has a molecular weight of 345.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[2-thiophen-2-yl-4-(trifluoromethyl)imidazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 141041223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).