1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol

C13H21F2N3O — CID 65115959

IUPAC1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2nccn2C(F)F)CC1
InChIInChI=1S/C13H21F2N3O/c1-10-2-4-13(19,5-3-10)9-16-8-11-17-6-7-18(11)12(14)15/h6-7,10,12,16,19H,2-5,8-9H2,1H3
InChIKeyKXONHKHFLMEHJZ-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.31
Rot. Bonds5

About 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol

1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol (PubChem CID 65115959) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol
PubChem CID65115959
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(CNCc2nccn2C(F)F)CC1
InChIInChI=1S/C13H21F2N3O/c1-10-2-4-13(19,5-3-10)9-16-8-11-17-6-7-18(11)12(14)15/h6-7,10,12,16,19H,2-5,8-9H2,1H3
InChIKeyKXONHKHFLMEHJZ-UHFFFAOYSA-N
XLogP2.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.31
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]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol (CID 65115959) is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(CNCc2nccn2C(F)F)CC1.
What is the InChIKey of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol?
The InChIKey is KXONHKHFLMEHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-10-2-4-13(19,5-3-10)9-16-8-11-17-6-7-18(11)12(14)15/h6-7,10,12,16,19H,2-5,8-9H2,1H3.
What are the key properties of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol?
1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]-4-methylcyclohexan-1-ol has a molecular weight of 273.33 g/mol, XLogP of 2.31, 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]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 65115959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).