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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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
5-(4-Methoxyphenyl)-2-phenyl-1H-imidazole
CID 12024852
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
1-(4-Methoxybenzyl)-5-phenyl-1H-imidazole
CID 45103811
2-(4-(4-(Trifluoromethoxy)phenyl)-1H-imidazol-2-yl)propan-2-amine
CID 65459349
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-5,6,7,8-tetrahydro-imidazo[1,2-a]pyridine
CID 9840856
12-Benzyl-4-(2-fluoro-4-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11761265
(2S)-1-(tert-butylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878477
1-(cyclopropylamino)-3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propan-2-ol
CID 12878481

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).