2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol

C12H19F2N3O — CID 62016033

IUPAC2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1nccn1C(F)F)C1CCCC1
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-6-5-15-11(17)9-16(7-8-18)10-3-1-2-4-10/h5-6,10,12,18H,1-4,7-9H2
InChIKeyAKZIBBIRKHIOCG-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.02
Rot. Bonds6

About 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol

2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol (PubChem CID 62016033) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol
PubChem CID62016033
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol
SMILESOCCN(Cc1nccn1C(F)F)C1CCCC1
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-6-5-15-11(17)9-16(7-8-18)10-3-1-2-4-10/h5-6,10,12,18H,1-4,7-9H2
InChIKeyAKZIBBIRKHIOCG-UHFFFAOYSA-N
XLogP2.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol (CID 62016033) is 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol is OCCN(Cc1nccn1C(F)F)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol?
The InChIKey is AKZIBBIRKHIOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)17-6-5-15-11(17)9-16(7-8-18)10-3-1-2-4-10/h5-6,10,12,18H,1-4,7-9H2.
What are the key properties of 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol?
2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol has a molecular weight of 259.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[[1-(difluoromethyl)imidazol-2-yl]methyl]amino]ethanol is sourced from PubChem (CID 62016033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).