2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol

C13H14F3N3O — CID 114705699

IUPAC2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)10-3-1-9(2-4-10)6-19-8-18-5-12(19)11(17)7-20/h1-5,8,11,20H,6-7,17H2
InChIKeyRQVDBMHPGFNTQK-UHFFFAOYSA-N
MW285.27 g/mol
LogP1.94
Rot. Bonds4

About 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol

2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol (PubChem CID 114705699) has the molecular formula C13H14F3N3O and a molecular weight of 285.27 g/mol. Its IUPAC name is 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
PubChem CID114705699
Molecular FormulaC13H14F3N3O
Molecular Weight285.27 g/mol
Exact Mass285.11
IUPAC Name2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol
SMILESNC(CO)c1cncn1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3O/c14-13(15,16)10-3-1-9(2-4-10)6-19-8-18-5-12(19)11(17)7-20/h1-5,8,11,20H,6-7,17H2
InChIKeyRQVDBMHPGFNTQK-UHFFFAOYSA-N
XLogP1.94
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol with MolForge

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Related Compounds

1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
CID 83876289
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
2-amino-2-[3-[(2-nitrophenyl)methyl]imidazol-4-yl]ethanol
CID 114705003
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
(1R)-2-phenyl-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941817
3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278183
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942900
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
1-(4-fluorophenyl)-N-methyl-N-[[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]imidazol-4-yl]methyl]methanamine
CID 71181650

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol (CID 114705699) is 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol is NC(CO)c1cncn1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol?
The InChIKey is RQVDBMHPGFNTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O/c14-13(15,16)10-3-1-9(2-4-10)6-19-8-18-5-12(19)11(17)7-20/h1-5,8,11,20H,6-7,17H2.
What are the key properties of 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol?
2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol has a molecular weight of 285.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanol is sourced from PubChem (CID 114705699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).