[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol

C13H21F2N3O — CID 124619874

IUPAC[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
SMILESC[C@@H]1CC[C@](CO)(N(C)Cc2nccn2C(F)F)C1
InChIInChI=1S/C13H21F2N3O/c1-10-3-4-13(7-10,9-19)17(2)8-11-16-5-6-18(11)12(14)15/h5-6,10,12,19H,3-4,7-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyPBYOEGCJXOCXGV-MFKMUULPSA-N
MW273.33 g/mol
LogP2.26
Rot. Bonds5

About [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol

[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol (PubChem CID 124619874) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
PubChem CID124619874
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
SMILESC[C@@H]1CC[C@](CO)(N(C)Cc2nccn2C(F)F)C1
InChIInChI=1S/C13H21F2N3O/c1-10-3-4-13(7-10,9-19)17(2)8-11-16-5-6-18(11)12(14)15/h5-6,10,12,19H,3-4,7-9H2,1-2H3/t10-,13+/m1/s1
InChIKeyPBYOEGCJXOCXGV-MFKMUULPSA-N
XLogP2.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol?
The IUPAC name of [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol (CID 124619874) is [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol.
What is the SMILES notation for [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol?
The canonical SMILES for [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol is C[C@@H]1CC[C@](CO)(N(C)Cc2nccn2C(F)F)C1.
What is the InChIKey of [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol?
The InChIKey is PBYOEGCJXOCXGV-MFKMUULPSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-10-3-4-13(7-10,9-19)17(2)8-11-16-5-6-18(11)12(14)15/h5-6,10,12,19H,3-4,7-9H2,1-2H3/t10-,13+/m1/s1.
What are the key properties of [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol?
[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol has a molecular weight of 273.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol is sourced from PubChem (CID 124619874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).