2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

C21H20ClF3N4O — CID 164558189

IUPAC2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccccc1Cl
InChIInChI=1S/C21H20ClF3N4O/c22-16-5-2-1-4-15(16)20(30)27-14-10-8-13(9-11-14)26-18-6-3-7-19-28-17(12-29(18)19)21(23,24)25/h1-7,12-14,26H,8-11H2,(H,27,30)
InChIKeyFXMBZHAJWABUJS-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.16
Rot. Bonds4

About 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (PubChem CID 164558189) has the molecular formula C21H20ClF3N4O and a molecular weight of 436.87 g/mol. Its IUPAC name is 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
PubChem CID164558189
Molecular FormulaC21H20ClF3N4O
Molecular Weight436.87 g/mol
Exact Mass436.13
IUPAC Name2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccccc1Cl
InChIInChI=1S/C21H20ClF3N4O/c22-16-5-2-1-4-15(16)20(30)27-14-10-8-13(9-11-14)26-18-6-3-7-19-28-17(12-29(18)19)21(23,24)25/h1-7,12-14,26H,8-11H2,(H,27,30)
InChIKeyFXMBZHAJWABUJS-UHFFFAOYSA-N
XLogP5.16
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (CID 164558189) is 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The InChIKey is FXMBZHAJWABUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O/c22-16-5-2-1-4-15(16)20(30)27-14-10-8-13(9-11-14)26-18-6-3-7-19-28-17(12-29(18)19)21(23,24)25/h1-7,12-14,26H,8-11H2,(H,27,30).
What are the key properties of 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide has a molecular weight of 436.87 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 164558189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).