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

C12H19F2N3O — CID 109398078

IUPAC2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1nccn1C(F)F)CC1CCCC1O
InChIInChI=1S/C12H19F2N3O/c1-16(7-9-3-2-4-10(9)18)8-11-15-5-6-17(11)12(13)14/h5-6,9-10,12,18H,2-4,7-8H2,1H3
InChIKeyBZGAZTGJMYYZFP-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.87
Rot. Bonds5

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

2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol (PubChem CID 109398078) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
PubChem CID109398078
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
SMILESCN(Cc1nccn1C(F)F)CC1CCCC1O
InChIInChI=1S/C12H19F2N3O/c1-16(7-9-3-2-4-10(9)18)8-11-15-5-6-17(11)12(13)14/h5-6,9-10,12,18H,2-4,7-8H2,1H3
InChIKeyBZGAZTGJMYYZFP-UHFFFAOYSA-N
XLogP1.87
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol (CID 109398078) is 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol is CN(Cc1nccn1C(F)F)CC1CCCC1O.
What is the InChIKey of 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
The InChIKey is BZGAZTGJMYYZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c1-16(7-9-3-2-4-10(9)18)8-11-15-5-6-17(11)12(13)14/h5-6,9-10,12,18H,2-4,7-8H2,1H3.
What are the key properties of 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol?
2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109398078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).