2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C20H16Cl2FN3O — CID 60525309

About 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 60525309) has the molecular formula C20H16Cl2FN3O and a molecular weight of 404.27 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• PubChem CID: 60525309
• Molecular Formula: C20H16Cl2FN3O
• Molecular Weight: 404.27 g/mol
• Exact Mass: 403.07
• IUPAC Name: 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• SMILES: O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc(F)c(Cl)cc1Cl
• InChI: InChI=1S/C20H16Cl2FN3O/c21-15-10-16(22)17(23)9-14(15)20(27)24-13-5-3-4-12(8-13)18-11-26-7-2-1-6-19(26)25-18/h3-5,8-11H,1-2,6-7H2,(H,24,27)
• InChIKey: FOTPXPAXULXZBB-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 46.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	404.27
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The IUPAC name of 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 60525309) is 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

What is the SMILES notation for 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The canonical SMILES for 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)c1cc(F)c(Cl)cc1Cl.

What is the InChIKey of 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

The InChIKey is FOTPXPAXULXZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2FN3O/c21-15-10-16(22)17(23)9-14(15)20(27)24-13-5-3-4-12(8-13)18-11-26-7-2-1-6-19(26)25-18/h3-5,8-11H,1-2,6-7H2,(H,24,27).

What are the key properties of 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?

2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 404.27 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 60525309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).