N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C23H20ClN3O2 — CID 51111213

About N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 51111213) has the molecular formula C23H20ClN3O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

• Compound Name: N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
• PubChem CID: 51111213
• Molecular Formula: C23H20ClN3O2
• Molecular Weight: 405.89 g/mol
• Exact Mass: 405.12
• IUPAC Name: N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
• SMILES: CC(NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1
• InChI: InChI=1S/C23H20ClN3O2/c1-16(17-6-4-8-19(24)12-17)25-23(28)18-7-5-9-21(13-18)29-15-20-14-27-11-3-2-10-22(27)26-20/h2-14,16H,15H2,1H3,(H,25,28)
• InChIKey: BJFDODWYWNZIBJ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.89
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?

The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 51111213) is N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?

The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is CC(NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1.

What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?

The InChIKey is BJFDODWYWNZIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O2/c1-16(17-6-4-8-19(24)12-17)25-23(28)18-7-5-9-21(13-18)29-15-20-14-27-11-3-2-10-22(27)26-20/h2-14,16H,15H2,1H3,(H,25,28).

What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?

N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 405.89 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 51111213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).