4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide

C24H21ClN4O3 — CID 56582434

About 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide

4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide (PubChem CID 56582434) has the molecular formula C24H21ClN4O3 and a molecular weight of 448.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
• PubChem CID: 56582434
• Molecular Formula: C24H21ClN4O3
• Molecular Weight: 448.91 g/mol
• Exact Mass: 448.13
• IUPAC Name: 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
• SMILES: O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(OCc2cn3ccccc3n2)c1
• InChI: InChI=1S/C24H21ClN4O3/c25-18-9-7-17(8-10-18)24(31)26-12-11-23(30)28-19-4-3-5-21(14-19)32-16-20-15-29-13-2-1-6-22(29)27-20/h1-10,13-15H,11-12,16H2,(H,26,31)(H,28,30)
• InChIKey: XJNMGXGKCDTEMD-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.91
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide?

The IUPAC name of 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide (CID 56582434) is 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide.

What is the SMILES notation for 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide?

The canonical SMILES for 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(OCc2cn3ccccc3n2)c1.

What is the InChIKey of 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide?

The InChIKey is XJNMGXGKCDTEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3/c25-18-9-7-17(8-10-18)24(31)26-12-11-23(30)28-19-4-3-5-21(14-19)32-16-20-15-29-13-2-1-6-22(29)27-20/h1-10,13-15H,11-12,16H2,(H,26,31)(H,28,30).

What are the key properties of 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide?

4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide has a molecular weight of 448.91 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 56582434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).