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

C11H17F2N3O — CID 64689530

IUPAC1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C11H17F2N3O/c12-10(13)16-6-5-15-9(16)7-14-8-11(17)3-1-2-4-11/h5-6,10,14,17H,1-4,7-8H2
InChIKeyKJSKXAZBZDGQRU-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.67
Rot. Bonds5

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

1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol (PubChem CID 64689530) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol
PubChem CID64689530
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C11H17F2N3O/c12-10(13)16-6-5-15-9(16)7-14-8-11(17)3-1-2-4-11/h5-6,10,14,17H,1-4,7-8H2
InChIKeyKJSKXAZBZDGQRU-UHFFFAOYSA-N
XLogP1.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.67
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]cyclopentan-1-ol?
The IUPAC name of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol (CID 64689530) is 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2nccn2C(F)F)CCCC1.
What is the InChIKey of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol?
The InChIKey is KJSKXAZBZDGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-10(13)16-6-5-15-9(16)7-14-8-11(17)3-1-2-4-11/h5-6,10,14,17H,1-4,7-8H2.
What are the key properties of 1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol?
1-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclopentan-1-ol has a molecular weight of 245.27 g/mol, XLogP of 1.67, 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]cyclopentan-1-ol is sourced from PubChem (CID 64689530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).