[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol

C12H19F2N3O — CID 62522399

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2nccn2C(F)F)CCCCC1
InChIInChI=1S/C12H19F2N3O/c13-11(14)17-7-6-15-10(17)8-16-12(9-18)4-2-1-3-5-12/h6-7,11,16,18H,1-5,8-9H2
InChIKeyDZFAFILNGSROJT-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.06
Rot. Bonds5

About [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol

[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol (PubChem CID 62522399) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
PubChem CID62522399
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
SMILESOCC1(NCc2nccn2C(F)F)CCCCC1
InChIInChI=1S/C12H19F2N3O/c13-11(14)17-7-6-15-10(17)8-16-12(9-18)4-2-1-3-5-12/h6-7,11,16,18H,1-5,8-9H2
InChIKeyDZFAFILNGSROJT-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

(2R)-2-cyclohexyl-2-[(1-methylimidazol-2-yl)methylamino]propan-1-ol
CID 97567526
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399
(3S)-3-methyl-3-[(1-methylimidazol-2-yl)methylamino]pentan-1-ol
CID 164629868
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
CID 55063615
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-2-ethylbutan-1-ol
CID 55082156
2-[4-[[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]ethanol
CID 56779829
2-[1-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
CID 60295604
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]-4-methylpentan-1-ol
CID 61246140
[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanol
CID 61355738
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclohexan-1-amine
CID 61870762
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperidin-2-yl]ethanol
CID 62020281

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol (CID 62522399) is [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol is OCC1(NCc2nccn2C(F)F)CCCCC1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
The InChIKey is DZFAFILNGSROJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-11(14)17-7-6-15-10(17)8-16-12(9-18)4-2-1-3-5-12/h6-7,11,16,18H,1-5,8-9H2.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol has a molecular weight of 259.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62522399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).