2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide

C24H27N5O4 — CID 91639274

About 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide (PubChem CID 91639274) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide.

Molecular Properties

• Compound Name: 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
• PubChem CID: 91639274
• Molecular Formula: C24H27N5O4
• Molecular Weight: 449.51 g/mol
• Exact Mass: 449.21
• IUPAC Name: 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide
• SMILES: COc1ccc2cnn(CC(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)c(=O)c2c1OC
• InChI: InChI=1S/C24H27N5O4/c1-14(2)21(23-26-16-8-6-7-9-17(16)28(23)3)27-19(30)13-29-24(31)20-15(12-25-29)10-11-18(32-4)22(20)33-5/h6-12,14,21H,13H2,1-5H3,(H,27,30)/t21-/m0/s1
• InChIKey: HCBTVIGUCKYXRP-NRFANRHFSA-N
• XLogP: 2.81
• TPSA: 100.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.51
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?

The IUPAC name of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide (CID 91639274) is 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide.

What is the SMILES notation for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?

The canonical SMILES for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide is COc1ccc2cnn(CC(=O)N[C@H](c3nc4ccccc4n3C)C(C)C)c(=O)c2c1OC.

What is the InChIKey of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?

The InChIKey is HCBTVIGUCKYXRP-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-14(2)21(23-26-16-8-6-7-9-17(16)28(23)3)27-19(30)13-29-24(31)20-15(12-25-29)10-11-18(32-4)22(20)33-5/h6-12,14,21H,13H2,1-5H3,(H,27,30)/t21-/m0/s1.

What are the key properties of 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide?

2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-methylbenzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 91639274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).