[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

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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).