2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol

C8H12F3N3O — CID 178139651

IUPAC2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol
SMILESCC(C)(N)C(O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H12F3N3O/c1-7(2,12)5(15)6-13-3-4(14-6)8(9,10)11/h3,5,15H,12H2,1-2H3,(H,13,14)
InChIKeyVPGLVZNBCQBDLI-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.20
Rot. Bonds2

About 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol

2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol (PubChem CID 178139651) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol
PubChem CID178139651
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol
SMILESCC(C)(N)C(O)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H12F3N3O/c1-7(2,12)5(15)6-13-3-4(14-6)8(9,10)11/h3,5,15H,12H2,1-2H3,(H,13,14)
InChIKeyVPGLVZNBCQBDLI-UHFFFAOYSA-N
XLogP1.20
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-5-hydroxymethylimidazole
CID 2735673
(2-Methyl-1H-imidazol-4-yl)methanol
CID 11480420
[4-(propan-2-yl)-1H-imidazol-2-yl]methanol
CID 9877392
(4-methyl-1H-imidazol-2-yl)methanol hydrochloride
CID 53421706
2-(4-methyl-1H-imidazol-2-yl)ethan-1-ol
CID 68798957
(4-tert-butyl-1H-imidazol-2-yl)methanol hydrochloride
CID 132372510
1-Hydroxyethyl-2-methylimidazole
CID 13606244
(2-(Trifluoromethyl)-1H-imidazol-5-yl)methanol
CID 596822
(5-methyl-1H-imidazol-2-yl)methanol
CID 19735771
(4-tert-butyl-1H-imidazol-2-yl)methanol
CID 23151525
(5-(Trifluoromethyl)-1H-imidazol-2-yl)methanol
CID 53650965
(2-(2,2,2-Trifluoroethyl)-1H-imidazol-5-yl)methanol
CID 63108229

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol?
The IUPAC name of 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol (CID 178139651) is 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol?
The canonical SMILES for 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol is CC(C)(N)C(O)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol?
The InChIKey is VPGLVZNBCQBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-7(2,12)5(15)6-13-3-4(14-6)8(9,10)11/h3,5,15H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol?
2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol has a molecular weight of 223.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 178139651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).