1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol

C12H18F2N2O — CID 105113543

IUPAC1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2O/c1-16-7-6-15-11(16)8-10(17)9-2-4-12(13,14)5-3-9/h6-7,9-10,17H,2-5,8H2,1H3
InChIKeyGHSMPMIMKFUKQA-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.15
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol

1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 105113543) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID105113543
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2O/c1-16-7-6-15-11(16)8-10(17)9-2-4-12(13,14)5-3-9/h6-7,9-10,17H,2-5,8H2,1H3
InChIKeyGHSMPMIMKFUKQA-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-4-yl]ethanol
CID 56787475
spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
CID 14391701
(1'S,8S)-spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
CID 21607733
(1'R,8R)-spiro[6,7-dihydro-5H-imidazo[1,2-a]pyridine-8,2'-cyclohexane]-1'-ol
CID 162848492
Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
2-[(2R)-1-[2-(2-ethylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 124750846
cis-(2S,5R)-5-fluoro-6-imidazol-1-yl-2-methylcycloheptan-1-ol
CID 155057396
(Z)-1-cyclohexyl-N-(difluoromethoxy)-1-(1-methylimidazol-2-yl)methanimine
CID 169931586
[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]cyclohexyl]methanol
CID 170316900
(4,4-Difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
CID 174754336

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol (CID 105113543) is 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is GHSMPMIMKFUKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-16-7-6-15-11(16)8-10(17)9-2-4-12(13,14)5-3-9/h6-7,9-10,17H,2-5,8H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 244.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 105113543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).