2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine

C12H16F3N3 — CID 83966111

IUPAC2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine
SMILESNC1CC(C(F)(F)F)Cn2c1nc1c2CCCC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)7-5-8(16)11-17-9-3-1-2-4-10(9)18(11)6-7/h7-8H,1-6,16H2
InChIKeyXWVIQEXGEXQGMZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.34
Rot. Bonds

About 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine

2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine (PubChem CID 83966111) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine
PubChem CID83966111
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine
SMILESNC1CC(C(F)(F)F)Cn2c1nc1c2CCCC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)7-5-8(16)11-17-9-3-1-2-4-10(9)18(11)6-7/h7-8H,1-6,16H2
InChIKeyXWVIQEXGEXQGMZ-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine (CID 83966111) is 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine is NC1CC(C(F)(F)F)Cn2c1nc1c2CCCC1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
The InChIKey is XWVIQEXGEXQGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)7-5-8(16)11-17-9-3-1-2-4-10(9)18(11)6-7/h7-8H,1-6,16H2.
What are the key properties of 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine?
2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine has a molecular weight of 259.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,4,6,7,8,9-octahydropyrido[1,2-a]benzimidazol-4-amine is sourced from PubChem (CID 83966111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).