2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol

C12H19F2N3O — CID 64912408

IUPAC2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1nccn1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-6-5-16-11(17)8-15-7-9-3-1-2-4-10(9)18/h5-6,9-10,12,15,18H,1-4,7-8H2
InChIKeyWMEXFOYGAMGMLB-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.92
Rot. Bonds5

About 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol

2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 64912408) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID64912408
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1nccn1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-6-5-16-11(17)8-15-7-9-3-1-2-4-10(9)18/h5-6,9-10,12,15,18H,1-4,7-8H2
InChIKeyWMEXFOYGAMGMLB-UHFFFAOYSA-N
XLogP1.92
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-(1-methylimidazol-2-yl)methanol
CID 13331154
(1-Butylimidazol-2-yl)-cyclohexylmethanol
CID 102490465
(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
1-[4-[[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554421
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
CID 55063615
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
CID 61246140
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]ethanol
CID 62355774
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
CID 62517050
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
CID 62522399
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-3-methylcyclohexyl]methanol
CID 62552690
[1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylcyclohexyl]methanol
CID 62553353

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 64912408) is 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1nccn1C(F)F.
What is the InChIKey of 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is WMEXFOYGAMGMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)17-6-5-16-11(17)8-15-7-9-3-1-2-4-10(9)18/h5-6,9-10,12,15,18H,1-4,7-8H2.
What are the key properties of 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64912408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).