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

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

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Related Compounds

(1S)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2-methyl-propan-1-ol
CID 134590083
US10093664, Example 3
CID 134590089
(1R)-1-[4-[6-azanyl-5-(trifluoromethyloxy)pyridin-3-yl]-1-(3-fluoranyl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-tris(fluoranyl)ethanol
CID 156274380
US10093664, Example 1
CID 134590099
US11560366, Example 13
CID 156274412
1-ethyl-1-[(1S)-2,2,2-trifluoro-1-[5-methoxy-4-(8-methoxyimidazo[1,2-a]pyrazin-6-yl)-2-pyridinyl]ethyl]-3-[1-(trifluoromethyl)cyclobutyl]urea
CID 167117085
US10093664, Example 67
CID 134590085
US10093664, Example 10
CID 134590142
US10093664, Example 8a
CID 135185713
US11560366, Example 3b
CID 156274387
US11560366, Example 9b
CID 156274397
US11560366, Example 8a
CID 156274418

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).