3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine

C16H18F3N3O2 — CID 71523540

IUPAC3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine
SMILESNC1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)13-9-21-14(22-13)8-15(20)6-1-7-23-10-15/h2-5,9H,1,6-8,10,20H2,(H,21,22)
InChIKeyARCAJTAMUQLDKI-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.03
Rot. Bonds4

About 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine

3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine (PubChem CID 71523540) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine.

Molecular Properties

Compound Name3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine
PubChem CID71523540
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine
SMILESNC1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)13-9-21-14(22-13)8-15(20)6-1-7-23-10-15/h2-5,9H,1,6-8,10,20H2,(H,21,22)
InChIKeyARCAJTAMUQLDKI-UHFFFAOYSA-N
XLogP3.03
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine?
The IUPAC name of 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine (CID 71523540) is 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine.
What is the SMILES notation for 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine?
The canonical SMILES for 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine is NC1(Cc2ncc(-c3ccc(OC(F)(F)F)cc3)[nH]2)CCCOC1.
What is the InChIKey of 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine?
The InChIKey is ARCAJTAMUQLDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)24-12-4-2-11(3-5-12)13-9-21-14(22-13)8-15(20)6-1-7-23-10-15/h2-5,9H,1,6-8,10,20H2,(H,21,22).
What are the key properties of 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine?
3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine has a molecular weight of 341.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]methyl]oxan-3-amine is sourced from PubChem (CID 71523540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).