2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide

C27H33N7O — CID 6416755

About 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide

2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide (PubChem CID 6416755) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide
• PubChem CID: 6416755
• Molecular Formula: C27H33N7O
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.27
• IUPAC Name: 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide
• SMILES: Cc1nnc(N2CCN(CCc3nc4cc(NC(=O)C(C)C)ccc4n3C)CC2)c2ccccc12
• InChI: InChI=1S/C27H33N7O/c1-18(2)27(35)28-20-9-10-24-23(17-20)29-25(32(24)4)11-12-33-13-15-34(16-14-33)26-22-8-6-5-7-21(22)19(3)30-31-26/h5-10,17-18H,11-16H2,1-4H3,(H,28,35)
• InChIKey: XHRBIZSPTPKZIB-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 79.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide?

The IUPAC name of 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide (CID 6416755) is 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide.

What is the SMILES notation for 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide?

The canonical SMILES for 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide is Cc1nnc(N2CCN(CCc3nc4cc(NC(=O)C(C)C)ccc4n3C)CC2)c2ccccc12.

What is the InChIKey of 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide?

The InChIKey is XHRBIZSPTPKZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-18(2)27(35)28-20-9-10-24-23(17-20)29-25(32(24)4)11-12-33-13-15-34(16-14-33)26-22-8-6-5-7-21(22)19(3)30-31-26/h5-10,17-18H,11-16H2,1-4H3,(H,28,35).

What are the key properties of 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide?

2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide has a molecular weight of 471.61 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide is sourced from PubChem (CID 6416755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).