(2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol

C15H24F2N2O — CID 174754339

IUPAC(2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol
SMILESCc1cn(C(O)C2CCC(F)(F)CC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H24F2N2O/c1-10-9-19(13(18-10)14(2,3)4)12(20)11-5-7-15(16,17)8-6-11/h9,11-12,20H,5-8H2,1-4H3
InChIKeyYVNPWLITQVCOGS-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.81
Rot. Bonds2

About (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol

(2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 174754339) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol
PubChem CID174754339
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol
SMILESCc1cn(C(O)C2CCC(F)(F)CC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H24F2N2O/c1-10-9-19(13(18-10)14(2,3)4)12(20)11-5-7-15(16,17)8-6-11/h9,11-12,20H,5-8H2,1-4H3
InChIKeyYVNPWLITQVCOGS-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol (CID 174754339) is (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol is Cc1cn(C(O)C2CCC(F)(F)CC2)c(C(C)(C)C)n1.
What is the InChIKey of (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is YVNPWLITQVCOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-10-9-19(13(18-10)14(2,3)4)12(20)11-5-7-15(16,17)8-6-11/h9,11-12,20H,5-8H2,1-4H3.
What are the key properties of (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol?
(2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 286.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-methylimidazol-1-yl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 174754339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).