1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol

C19H23F3N4O2 — CID 134601089

IUPAC1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1[C@H]1CC2CC1C2
InChIInChI=1S/C19H23F3N4O2/c1-9(2)16(27)18-25-13(8-26(18)14-5-10-3-11(14)4-10)12-6-15(17(23)24-7-12)28-19(20,21)22/h6-11,14,16,27H,3-5H2,1-2H3,(H2,23,24)/t10?,11?,14-,16?/m0/s1
InChIKeyYVEBTEGBQXFFGF-XRDQEZKRSA-N
MW396.41 g/mol
LogP4.09
Rot. Bonds5

About 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol

1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol (PubChem CID 134601089) has the molecular formula C19H23F3N4O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol
PubChem CID134601089
Molecular FormulaC19H23F3N4O2
Molecular Weight396.41 g/mol
Exact Mass396.18
IUPAC Name1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1[C@H]1CC2CC1C2
InChIInChI=1S/C19H23F3N4O2/c1-9(2)16(27)18-25-13(8-26(18)14-5-10-3-11(14)4-10)12-6-15(17(23)24-7-12)28-19(20,21)22/h6-11,14,16,27H,3-5H2,1-2H3,(H2,23,24)/t10?,11?,14-,16?/m0/s1
InChIKeyYVEBTEGBQXFFGF-XRDQEZKRSA-N
XLogP4.09
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.09
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-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol?
The IUPAC name of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol (CID 134601089) is 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol is CC(C)C(O)c1nc(-c2cnc(N)c(OC(F)(F)F)c2)cn1[C@H]1CC2CC1C2.
What is the InChIKey of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol?
The InChIKey is YVEBTEGBQXFFGF-XRDQEZKRSA-N. The full InChI is InChI=1S/C19H23F3N4O2/c1-9(2)16(27)18-25-13(8-26(18)14-5-10-3-11(14)4-10)12-6-15(17(23)24-7-12)28-19(20,21)22/h6-11,14,16,27H,3-5H2,1-2H3,(H2,23,24)/t10?,11?,14-,16?/m0/s1.
What are the key properties of 1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol?
1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol has a molecular weight of 396.41 g/mol, XLogP of 4.09, 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-[(2S)-2-bicyclo[2.1.1]hexanyl]imidazol-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 134601089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).