[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol

C11H17F2N3O — CID 62517050

IUPAC[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C11H17F2N3O/c12-10(13)16-6-5-14-9(16)7-15-11(8-17)3-1-2-4-11/h5-6,10,15,17H,1-4,7-8H2
InChIKeyNNFNPESXZCXLDM-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.67
Rot. Bonds5

About [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol

[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol (PubChem CID 62517050) 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]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
PubChem CID62517050
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2nccn2C(F)F)CCCC1
InChIInChI=1S/C11H17F2N3O/c12-10(13)16-6-5-14-9(16)7-15-11(8-17)3-1-2-4-11/h5-6,10,15,17H,1-4,7-8H2
InChIKeyNNFNPESXZCXLDM-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]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol (CID 62517050) is [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol is OCC1(NCc2nccn2C(F)F)CCCC1.
What is the InChIKey of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
The InChIKey is NNFNPESXZCXLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c12-10(13)16-6-5-14-9(16)7-15-11(8-17)3-1-2-4-11/h5-6,10,15,17H,1-4,7-8H2.
What are the key properties of [1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
[1-[[1-(difluoromethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol 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]cyclopentyl]methanol is sourced from PubChem (CID 62517050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).