1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol

C17H19F3N4O2 — CID 134601203

IUPAC1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C17H19F3N4O2/c1-2-12(25)15-23-11(8-24(15)16-4-9(5-16)6-16)10-3-13(14(21)22-7-10)26-17(18,19)20/h3,7-9,12,25H,2,4-6H2,1H3,(H2,21,22)
InChIKeyHJSYMGOTWHELCO-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.38
Rot. Bonds5

About 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol

1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol (PubChem CID 134601203) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
PubChem CID134601203
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
SMILESCCC(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C17H19F3N4O2/c1-2-12(25)15-23-11(8-24(15)16-4-9(5-16)6-16)10-3-13(14(21)22-7-10)26-17(18,19)20/h3,7-9,12,25H,2,4-6H2,1H3,(H2,21,22)
InChIKeyHJSYMGOTWHELCO-UHFFFAOYSA-N
XLogP3.38
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
The IUPAC name of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol (CID 134601203) is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol.
What is the SMILES notation for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
The canonical SMILES for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol is CCC(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C2.
What is the InChIKey of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
The InChIKey is HJSYMGOTWHELCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-2-12(25)15-23-11(8-24(15)16-4-9(5-16)6-16)10-3-13(14(21)22-7-10)26-17(18,19)20/h3,7-9,12,25H,2,4-6H2,1H3,(H2,21,22).
What are the key properties of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol?
1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol has a molecular weight of 368.36 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol is sourced from PubChem (CID 134601203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).