3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol

C12H19F2N3O — CID 103699974

IUPAC3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2nccn2C(F)F)C1
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-5-4-16-11(17)8-15-7-9-2-1-3-10(18)6-9/h4-5,9-10,12,15,18H,1-3,6-8H2
InChIKeyXBEIWWJECGLAGJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.92
Rot. Bonds5

About 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol

3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 103699974) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID103699974
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNCc2nccn2C(F)F)C1
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-5-4-16-11(17)8-15-7-9-2-1-3-10(18)6-9/h4-5,9-10,12,15,18H,1-3,6-8H2
InChIKeyXBEIWWJECGLAGJ-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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Frequently Asked Questions

What is the IUPAC name of 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 103699974) is 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol is OC1CCCC(CNCc2nccn2C(F)F)C1.
What is the InChIKey of 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is XBEIWWJECGLAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)17-5-4-16-11(17)8-15-7-9-2-1-3-10(18)6-9/h4-5,9-10,12,15,18H,1-3,6-8H2.
What are the key properties of 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
3-[[[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 3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103699974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).