3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

C22H22ClN3O — CID 55885429

About 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (PubChem CID 55885429) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
• PubChem CID: 55885429
• Molecular Formula: C22H22ClN3O
• Molecular Weight: 379.89 g/mol
• Exact Mass: 379.15
• IUPAC Name: 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
• SMILES: O=C(CCc1ccccc1Cl)Nc1cccc(-c2cn3c(n2)CCCC3)c1
• InChI: InChI=1S/C22H22ClN3O/c23-19-9-2-1-6-16(19)11-12-22(27)24-18-8-5-7-17(14-18)20-15-26-13-4-3-10-21(26)25-20/h1-2,5-9,14-15H,3-4,10-13H2,(H,24,27)
• InChIKey: XAGOADVGZOSEIV-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.89
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

The IUPAC name of 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (CID 55885429) is 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.

What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

The canonical SMILES for 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is O=C(CCc1ccccc1Cl)Nc1cccc(-c2cn3c(n2)CCCC3)c1.

What is the InChIKey of 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

The InChIKey is XAGOADVGZOSEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-19-9-2-1-6-16(19)11-12-22(27)24-18-8-5-7-17(14-18)20-15-26-13-4-3-10-21(26)25-20/h1-2,5-9,14-15H,3-4,10-13H2,(H,24,27).

What are the key properties of 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?

3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide has a molecular weight of 379.89 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 55885429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).