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

C12H18F3N3O — CID 111916840

IUPAC[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2nccn2CC(F)(F)F)CCCC1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-18-6-5-16-10(18)7-17-11(9-19)3-1-2-4-11/h5-6,17,19H,1-4,7-9H2
InChIKeyMCNJXNLCEGGOSK-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.84
Rot. Bonds5

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

[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol (PubChem CID 111916840) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
PubChem CID111916840
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol
SMILESOCC1(NCc2nccn2CC(F)(F)F)CCCC1
InChIInChI=1S/C12H18F3N3O/c13-12(14,15)8-18-6-5-16-10(18)7-17-11(9-19)3-1-2-4-11/h5-6,17,19H,1-4,7-9H2
InChIKeyMCNJXNLCEGGOSK-UHFFFAOYSA-N
XLogP1.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol (CID 111916840) is [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol is OCC1(NCc2nccn2CC(F)(F)F)CCCC1.
What is the InChIKey of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
The InChIKey is MCNJXNLCEGGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c13-12(14,15)8-18-6-5-16-10(18)7-17-11(9-19)3-1-2-4-11/h5-6,17,19H,1-4,7-9H2.
What are the key properties of [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol?
[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol has a molecular weight of 277.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclopentyl]methanol is sourced from PubChem (CID 111916840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).