N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine

C15H20F3N3 — CID 164558031

IUPACN-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine
SMILESCCCC(CCC)=NC1CC=Cc2nc(C(F)(F)F)cn21
InChIInChI=1S/C15H20F3N3/c1-3-6-11(7-4-2)19-13-8-5-9-14-20-12(10-21(13)14)15(16,17)18/h5,9-10,13H,3-4,6-8H2,1-2H3
InChIKeyGVFNTVXZTGCTGI-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.86
Rot. Bonds5

About N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine

N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine (PubChem CID 164558031) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine
PubChem CID164558031
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC NameN-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine
SMILESCCCC(CCC)=NC1CC=Cc2nc(C(F)(F)F)cn21
InChIInChI=1S/C15H20F3N3/c1-3-6-11(7-4-2)19-13-8-5-9-14-20-12(10-21(13)14)15(16,17)18/h5,9-10,13H,3-4,6-8H2,1-2H3
InChIKeyGVFNTVXZTGCTGI-UHFFFAOYSA-N
XLogP4.86
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,5-Dimethyl-2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)imidazole;iridium
CID 59005654
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
5-Ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
CID 59746127
5-Ethyl-1-(1,1,2,2-tetrafluoroethyl)-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)imidazole
CID 87551398
1-methyl-2-[(E)-prop-1-enyl]-4-(trifluoromethyl)imidazole
CID 121329221
1-Buta-1,3-dienyl-2-methyl-4-(trifluoromethyl)imidazole
CID 123349772
1-Buta-1,3-dien-2-yl-2-methyl-4-(trifluoromethyl)imidazole
CID 124020728
6-[(Z)-hex-3-enyl]-2-(trifluoromethyl)-7H-imidazo[1,2-b]diazepine
CID 132064123
2-[(E)-1-fluoroprop-1-enyl]-1,4-dimethylimidazole
CID 135158915
(Z)-1,1-difluoro-4-(5-methyl-1H-imidazol-2-yl)but-3-en-2-imine
CID 139357886
ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-1-methyl-4-(trifluoromethyl)imidazole
CID 141974097
ethane;2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-1-methyl-4-(trifluoromethyl)imidazole
CID 141974373

Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine?
The IUPAC name of N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine (CID 164558031) is N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine.
What is the SMILES notation for N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine?
The canonical SMILES for N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine is CCCC(CCC)=NC1CC=Cc2nc(C(F)(F)F)cn21.
What is the InChIKey of N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine?
The InChIKey is GVFNTVXZTGCTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-3-6-11(7-4-2)19-13-8-5-9-14-20-12(10-21(13)14)15(16,17)18/h5,9-10,13H,3-4,6-8H2,1-2H3.
What are the key properties of N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine?
N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine has a molecular weight of 299.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]heptan-4-imine is sourced from PubChem (CID 164558031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).