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

C11H17F2N3O — CID 55063615

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-6-5-14-10(16)7-15-8-3-1-2-4-9(8)17/h5-6,8-9,11,15,17H,1-4,7H2
InChIKeyAQBVSROMDCZGHA-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.67
Rot. Bonds4

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

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol (PubChem CID 55063615) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
PubChem CID55063615
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1nccn1C(F)F
InChIInChI=1S/C11H17F2N3O/c12-11(13)16-6-5-14-10(16)7-15-8-3-1-2-4-9(8)17/h5-6,8-9,11,15,17H,1-4,7H2
InChIKeyAQBVSROMDCZGHA-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-1-yl)cyclohexan-1-ol
CID 13576994
(1S*,2S*)-2-(1H-imidazol-1-yl)cyclohexanol
CID 13576995
(+/-)-trans-2-(Imidazol-1-yl)cyclohexanol
CID 18397574
trans-(1R,2R)-2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexan-1-ol
CID 119039399
trans-(1S,2S)-2-(3-butylimidazol-3-ium-1-yl)cyclohexan-1-ol
CID 102090193
(S,s)-1-butyl-3-(2'-hydroxy-cyclohexyl)-3h-imidazol-1-ium tetrafluoroborate
CID 129849915
1-(2-Hydroxycyclohexyl)-3-(4-iodobutyl)-1h-imidazol-3-ium chloride
CID 129850149
1-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]propan-2-ol
CID 43416416
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]butan-1-ol
CID 43416447
2-[[1-(Difluoromethyl)imidazol-2-yl]methylamino]propan-1-ol
CID 43499974
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(oxolan-2-yl)ethanamine
CID 43534058
1-[4-[[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 53554421

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol (CID 55063615) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol?
The InChIKey is AQBVSROMDCZGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-11(13)16-6-5-14-10(16)7-15-8-3-1-2-4-9(8)17/h5-6,8-9,11,15,17H,1-4,7H2.
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclohexan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.67, 4 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]cyclohexan-1-ol is sourced from PubChem (CID 55063615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).