(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol

C16H17F3N4O — CID 134601170

IUPAC(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C16H17F3N4O/c1-8(24)14-22-12(7-23(14)15-3-9(4-15)5-15)10-2-11(16(17,18)19)13(20)21-6-10/h2,6-9,24H,3-5H2,1H3,(H2,20,21)/t8-,9?,15?/m0/s1
InChIKeyGBIJQSUOJCVWTL-GMSXMYEBSA-N
MW338.33 g/mol
LogP3.11
Rot. Bonds3

About (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol

(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol (PubChem CID 134601170) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol
PubChem CID134601170
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C16H17F3N4O/c1-8(24)14-22-12(7-23(14)15-3-9(4-15)5-15)10-2-11(16(17,18)19)13(20)21-6-10/h2,6-9,24H,3-5H2,1H3,(H2,20,21)/t8-,9?,15?/m0/s1
InChIKeyGBIJQSUOJCVWTL-GMSXMYEBSA-N
XLogP3.11
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol?
The IUPAC name of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol (CID 134601170) is (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol?
The canonical SMILES for (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol is C[C@H](O)c1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C12CC(C1)C2.
What is the InChIKey of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol?
The InChIKey is GBIJQSUOJCVWTL-GMSXMYEBSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-8(24)14-22-12(7-23(14)15-3-9(4-15)5-15)10-2-11(16(17,18)19)13(20)21-6-10/h2,6-9,24H,3-5H2,1H3,(H2,20,21)/t8-,9?,15?/m0/s1.
What are the key properties of (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol?
(1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol has a molecular weight of 338.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]ethanol is sourced from PubChem (CID 134601170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).