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

C12H19F2N3O — CID 64688952

IUPAC1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2nccn2C(F)F)CCCCC1
InChIInChI=1S/C12H19F2N3O/c13-11(14)17-7-6-16-10(17)8-15-9-12(18)4-2-1-3-5-12/h6-7,11,15,18H,1-5,8-9H2
InChIKeyVVHJXWQYWHFYNE-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.06
Rot. Bonds5

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

1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol (PubChem CID 64688952) 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]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
PubChem CID64688952
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol
SMILESOC1(CNCc2nccn2C(F)F)CCCCC1
InChIInChI=1S/C12H19F2N3O/c13-11(14)17-7-6-16-10(17)8-15-9-12(18)4-2-1-3-5-12/h6-7,11,15,18H,1-5,8-9H2
InChIKeyVVHJXWQYWHFYNE-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

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Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol (CID 64688952) is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol is OC1(CNCc2nccn2C(F)F)CCCCC1.
What is the InChIKey of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
The InChIKey is VVHJXWQYWHFYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-11(14)17-7-6-16-10(17)8-15-9-12(18)4-2-1-3-5-12/h6-7,11,15,18H,1-5,8-9H2.
What are the key properties of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol?
1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclohexan-1-ol 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]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64688952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).