1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol

C16H17F3N4O — CID 167574256

IUPAC1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESCc1cc(-c2cn(C34CC(C3)C4)c(C(O)C(F)(F)F)n2)cnc1N
InChIInChI=1S/C16H17F3N4O/c1-8-2-10(6-21-13(8)20)11-7-23(15-3-9(4-15)5-15)14(22-11)12(24)16(17,18)19/h2,6-7,9,12,24H,3-5H2,1H3,(H2,20,21)
InChIKeyOKMWOLLDGAVNOO-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.94
Rot. Bonds3

About 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol

1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 167574256) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
PubChem CID167574256
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESCc1cc(-c2cn(C34CC(C3)C4)c(C(O)C(F)(F)F)n2)cnc1N
InChIInChI=1S/C16H17F3N4O/c1-8-2-10(6-21-13(8)20)11-7-23(15-3-9(4-15)5-15)14(22-11)12(24)16(17,18)19/h2,6-7,9,12,24H,3-5H2,1H3,(H2,20,21)
InChIKeyOKMWOLLDGAVNOO-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol (CID 167574256) is 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol is Cc1cc(-c2cn(C34CC(C3)C4)c(C(O)C(F)(F)F)n2)cnc1N.
What is the InChIKey of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is OKMWOLLDGAVNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-8-2-10(6-21-13(8)20)11-7-23(15-3-9(4-15)5-15)14(22-11)12(24)16(17,18)19/h2,6-7,9,12,24H,3-5H2,1H3,(H2,20,21).
What are the key properties of 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol?
1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 338.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 167574256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).