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

C18H21F3N4O2 — CID 134601078

IUPAC1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C18H21F3N4O2/c1-9(2)14(26)16-24-12(8-25(16)17-4-10(5-17)6-17)11-3-13(15(22)23-7-11)27-18(19,20)21/h3,7-10,14,26H,4-6H2,1-2H3,(H2,22,23)
InChIKeyBSZDQUPRFFLOJT-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.62
Rot. Bonds5

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

1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 134601078) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
PubChem CID134601078
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1C12CC(C1)C2
InChIInChI=1S/C18H21F3N4O2/c1-9(2)14(26)16-24-12(8-25(16)17-4-10(5-17)6-17)11-3-13(15(22)23-7-11)27-18(19,20)21/h3,7-10,14,26H,4-6H2,1-2H3,(H2,22,23)
InChIKeyBSZDQUPRFFLOJT-UHFFFAOYSA-N
XLogP3.62
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.62
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]-2-methylpropan-1-ol?
The IUPAC name of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol (CID 134601078) is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-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]-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol is CC(C)C(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]-2-methylpropan-1-ol?
The InChIKey is BSZDQUPRFFLOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-9(2)14(26)16-24-12(8-25(16)17-4-10(5-17)6-17)11-3-13(15(22)23-7-11)27-18(19,20)21/h3,7-10,14,26H,4-6H2,1-2H3,(H2,22,23).
What are the key properties of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol?
1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 382.39 g/mol, XLogP of 3.62, 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]-2-methylpropan-1-ol is sourced from PubChem (CID 134601078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).