1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol

C25H20F6N4O — CID 10229106

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol
SMILESCCCn1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(-c2cccnc2)c1-c1cccnc1
InChIInChI=1S/C25H20F6N4O/c1-2-13-35-21(18-6-4-12-33-15-18)20(17-5-3-11-32-14-17)34-22(35)16-7-9-19(10-8-16)23(36,24(26,27)28)25(29,30)31/h3-12,14-15,36H,2,13H2,1H3
InChIKeyMCUNNLXHPMLQDI-UHFFFAOYSA-N
MW506.45 g/mol
LogP6.40
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol (PubChem CID 10229106) has the molecular formula C25H20F6N4O and a molecular weight of 506.45 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol
PubChem CID10229106
Molecular FormulaC25H20F6N4O
Molecular Weight506.45 g/mol
Exact Mass506.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol
SMILESCCCn1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(-c2cccnc2)c1-c1cccnc1
InChIInChI=1S/C25H20F6N4O/c1-2-13-35-21(18-6-4-12-33-15-18)20(17-5-3-11-32-14-17)34-22(35)16-7-9-19(10-8-16)23(36,24(26,27)28)25(29,30)31/h3-12,14-15,36H,2,13H2,1H3
InChIKeyMCUNNLXHPMLQDI-UHFFFAOYSA-N
XLogP6.40
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.45
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol (CID 10229106) is 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol is CCCn1c(-c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)nc(-c2cccnc2)c1-c1cccnc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol?
The InChIKey is MCUNNLXHPMLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F6N4O/c1-2-13-35-21(18-6-4-12-33-15-18)20(17-5-3-11-32-14-17)34-22(35)16-7-9-19(10-8-16)23(36,24(26,27)28)25(29,30)31/h3-12,14-15,36H,2,13H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol has a molecular weight of 506.45 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(1-propyl-4,5-dipyridin-3-ylimidazol-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 10229106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).