[3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol

C16H26F3N3O — CID 111440276

IUPAC[3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NCc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C16H26F3N3O/c1-12-6-14(2,3)9-15(7-12,11-23)21-8-13-20-4-5-22(13)10-16(17,18)19/h4-5,12,21,23H,6-11H2,1-3H3
InChIKeyLRCKFOAPYVRRTR-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.11
Rot. Bonds5

About [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol

[3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol (PubChem CID 111440276) has the molecular formula C16H26F3N3O and a molecular weight of 333.40 g/mol. Its IUPAC name is [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
PubChem CID111440276
Molecular FormulaC16H26F3N3O
Molecular Weight333.40 g/mol
Exact Mass333.20
IUPAC Name[3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol
SMILESCC1CC(C)(C)CC(CO)(NCc2nccn2CC(F)(F)F)C1
InChIInChI=1S/C16H26F3N3O/c1-12-6-14(2,3)9-15(7-12,11-23)21-8-13-20-4-5-22(13)10-16(17,18)19/h4-5,12,21,23H,6-11H2,1-3H3
InChIKeyLRCKFOAPYVRRTR-UHFFFAOYSA-N
XLogP3.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol 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 [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
The IUPAC name of [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol (CID 111440276) is [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol is CC1CC(C)(C)CC(CO)(NCc2nccn2CC(F)(F)F)C1.
What is the InChIKey of [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
The InChIKey is LRCKFOAPYVRRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N3O/c1-12-6-14(2,3)9-15(7-12,11-23)21-8-13-20-4-5-22(13)10-16(17,18)19/h4-5,12,21,23H,6-11H2,1-3H3.
What are the key properties of [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol?
[3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol has a molecular weight of 333.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3,5-trimethyl-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 111440276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).