4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine

C21H22F4N6 — CID 69103133

IUPAC4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2[nH]c(C3CCN(CC(F)(F)F)CC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22F4N6/c1-26-20-27-9-6-16(28-20)18-17(13-2-4-15(22)5-3-13)29-19(30-18)14-7-10-31(11-8-14)12-21(23,24)25/h2-6,9,14H,7-8,10-12H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyKXCNWFVNRBXBJX-UHFFFAOYSA-N
MW434.44 g/mol
LogP4.46
Rot. Bonds5

About 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine (PubChem CID 69103133) has the molecular formula C21H22F4N6 and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
PubChem CID69103133
Molecular FormulaC21H22F4N6
Molecular Weight434.44 g/mol
Exact Mass434.18
IUPAC Name4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2[nH]c(C3CCN(CC(F)(F)F)CC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C21H22F4N6/c1-26-20-27-9-6-16(28-20)18-17(13-2-4-15(22)5-3-13)29-19(30-18)14-7-10-31(11-8-14)12-21(23,24)25/h2-6,9,14H,7-8,10-12H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyKXCNWFVNRBXBJX-UHFFFAOYSA-N
XLogP4.46
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine 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 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine (CID 69103133) is 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2[nH]c(C3CCN(CC(F)(F)F)CC3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine?
The InChIKey is KXCNWFVNRBXBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N6/c1-26-20-27-9-6-16(28-20)18-17(13-2-4-15(22)5-3-13)29-19(30-18)14-7-10-31(11-8-14)12-21(23,24)25/h2-6,9,14H,7-8,10-12H2,1H3,(H,29,30)(H,26,27,28).
What are the key properties of 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine has a molecular weight of 434.44 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 69103133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).