1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H20F3N3 — CID 75374967

IUPAC1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESFC(F)(F)Cn1ccnc1CN1CCCC2CCCC21
InChIInChI=1S/C14H20F3N3/c15-14(16,17)10-20-8-6-18-13(20)9-19-7-2-4-11-3-1-5-12(11)19/h6,8,11-12H,1-5,7,9-10H2
InChIKeyQEEQRPOJMYARDI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.21
Rot. Bonds3

About 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 75374967) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID75374967
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESFC(F)(F)Cn1ccnc1CN1CCCC2CCCC21
InChIInChI=1S/C14H20F3N3/c15-14(16,17)10-20-8-6-18-13(20)9-19-7-2-4-11-3-1-5-12(11)19/h6,8,11-12H,1-5,7,9-10H2
InChIKeyQEEQRPOJMYARDI-UHFFFAOYSA-N
XLogP3.21
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 75374967) is 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is FC(F)(F)Cn1ccnc1CN1CCCC2CCCC21.
What is the InChIKey of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is QEEQRPOJMYARDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)10-20-8-6-18-13(20)9-19-7-2-4-11-3-1-5-12(11)19/h6,8,11-12H,1-5,7,9-10H2.
What are the key properties of 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 287.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 75374967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).