N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C27H27N5O2 — CID 55522635

About N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 55522635) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 55522635
• Molecular Formula: C27H27N5O2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.22
• IUPAC Name: N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1cccn2cc(COc3ccccc3C(=O)NCCCn3c(C)nc4ccccc43)nc12
• InChI: InChI=1S/C27H27N5O2/c1-19-9-7-15-31-17-21(30-26(19)31)18-34-25-13-6-3-10-22(25)27(33)28-14-8-16-32-20(2)29-23-11-4-5-12-24(23)32/h3-7,9-13,15,17H,8,14,16,18H2,1-2H3,(H,28,33)
• InChIKey: DPWBBQBGJDTCTC-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 55522635) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccccc3C(=O)NCCCn3c(C)nc4ccccc43)nc12.

What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is DPWBBQBGJDTCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-19-9-7-15-31-17-21(30-26(19)31)18-34-25-13-6-3-10-22(25)27(33)28-14-8-16-32-20(2)29-23-11-4-5-12-24(23)32/h3-7,9-13,15,17H,8,14,16,18H2,1-2H3,(H,28,33).

What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 453.55 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 55522635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).