1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

C15H21F3N4 — CID 164558234

IUPAC1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESCNC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1
InChIInChI=1S/C15H21F3N4/c1-19-10-5-7-11(8-6-10)20-13-3-2-4-14-21-12(9-22(13)14)15(16,17)18/h2,4,9-11,13,19-20H,3,5-8H2,1H3
InChIKeySGYFMLOUKGILEA-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.94
Rot. Bonds3

About 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine

1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (PubChem CID 164558234) has the molecular formula C15H21F3N4 and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
PubChem CID164558234
Molecular FormulaC15H21F3N4
Molecular Weight314.36 g/mol
Exact Mass314.17
IUPAC Name1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine
SMILESCNC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1
InChIInChI=1S/C15H21F3N4/c1-19-10-5-7-11(8-6-10)20-13-3-2-4-14-21-12(9-22(13)14)15(16,17)18/h2,4,9-11,13,19-20H,3,5-8H2,1H3
InChIKeySGYFMLOUKGILEA-UHFFFAOYSA-N
XLogP2.94
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The IUPAC name of 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine (CID 164558234) is 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is CNC1CCC(NC2CC=Cc3nc(C(F)(F)F)cn32)CC1.
What is the InChIKey of 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
The InChIKey is SGYFMLOUKGILEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4/c1-19-10-5-7-11(8-6-10)20-13-3-2-4-14-21-12(9-22(13)14)15(16,17)18/h2,4,9-11,13,19-20H,3,5-8H2,1H3.
What are the key properties of 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine?
1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 314.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-4-N-[2-(trifluoromethyl)-5,6-dihydroimidazo[1,2-a]pyridin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 164558234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).