(4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol

C14H22F2N2O — CID 174754336

IUPAC(4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
SMILESCc1cn(C(O)C2CCC(F)(F)CC2)c(C(C)C)n1
InChIInChI=1S/C14H22F2N2O/c1-9(2)12-17-10(3)8-18(12)13(19)11-4-6-14(15,16)7-5-11/h8-9,11,13,19H,4-7H2,1-3H3
InChIKeyDXWLPVLSFJVOTI-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.63
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol

(4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol (PubChem CID 174754336) has the molecular formula C14H22F2N2O and a molecular weight of 272.34 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
PubChem CID174754336
Molecular FormulaC14H22F2N2O
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol
SMILESCc1cn(C(O)C2CCC(F)(F)CC2)c(C(C)C)n1
InChIInChI=1S/C14H22F2N2O/c1-9(2)12-17-10(3)8-18(12)13(19)11-4-6-14(15,16)7-5-11/h8-9,11,13,19H,4-7H2,1-3H3
InChIKeyDXWLPVLSFJVOTI-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(tetrahydro-2H-pyran-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956042
[1-[4-Methyl-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3,4-dihydropyridin-6-yl]piperidin-4-yl]methanol
CID 135265790
[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]methanol
CID 141394692
1-[(4,4-Difluorocyclohexyl)methyl]-2-(1,1-difluoroethyl)-4-methylimidazole
CID 141394709
1-(4,4-Difluoro-1-methylcyclohexyl)-4-methylimidazole
CID 141403719
2-[1-[(4,4-Difluorocyclohexyl)methyl]-4-methylimidazol-2-yl]propan-2-ol
CID 149918403
1-[(4,4-Difluorocyclohexyl)methyl]-4-methyl-2-propan-2-ylimidazole
CID 151280967
2-(4-Fluorocyclohexyl)-1-[(2-methoxycycloheptyl)methyl]-5-(trifluoromethyl)imidazole
CID 155396010
[2-(Trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanol
CID 163390492
[1-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]methanol
CID 165400995
[4-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[2.2.2]octanyl]methanol
CID 169086353
[3-[1-Propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]-1-bicyclo[1.1.1]pentanyl]methanol
CID 169086360

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol (CID 174754336) is (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol is Cc1cn(C(O)C2CCC(F)(F)CC2)c(C(C)C)n1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol?
The InChIKey is DXWLPVLSFJVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O/c1-9(2)12-17-10(3)8-18(12)13(19)11-4-6-14(15,16)7-5-11/h8-9,11,13,19H,4-7H2,1-3H3.
What are the key properties of (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol?
(4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol has a molecular weight of 272.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(4-methyl-2-propan-2-ylimidazol-1-yl)methanol is sourced from PubChem (CID 174754336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).