4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine

C23H27F3N4O — CID 164557994

IUPAC4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
SMILESCC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18F3N3.C8H9NO/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-20-12(9-21(13)14)15(16,17)18;1-6-2-4-7(5-3-6)8(9)10/h2-4,9-11,19H,5-8H2,1H3;2-5H,1H3,(H2,9,10)
InChIKeyUZOMNMMNWSXZDS-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.44
Rot. Bonds3

About 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine

4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine (PubChem CID 164557994) has the molecular formula C23H27F3N4O and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound Name4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
PubChem CID164557994
Molecular FormulaC23H27F3N4O
Molecular Weight432.49 g/mol
Exact Mass432.21
IUPAC Name4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine
SMILESCC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.Cc1ccc(C(N)=O)cc1
InChIInChI=1S/C15H18F3N3.C8H9NO/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-20-12(9-21(13)14)15(16,17)18;1-6-2-4-7(5-3-6)8(9)10/h2-4,9-11,19H,5-8H2,1H3;2-5H,1H3,(H2,9,10)
InChIKeyUZOMNMMNWSXZDS-UHFFFAOYSA-N
XLogP5.44
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine (CID 164557994) is 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine is CC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.Cc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
The InChIKey is UZOMNMMNWSXZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3.C8H9NO/c1-10-5-7-11(8-6-10)19-13-3-2-4-14-20-12(9-21(13)14)15(16,17)18;1-6-2-4-7(5-3-6)8(9)10/h2-4,9-11,19H,5-8H2,1H3;2-5H,1H3,(H2,9,10).
What are the key properties of 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine?
4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine has a molecular weight of 432.49 g/mol, XLogP of 5.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzamide;N-(4-methylcyclohexyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 164557994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).