N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide

C27H30N6O2 — CID 154688973

About N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide

N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide (PubChem CID 154688973) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide
• PubChem CID: 154688973
• Molecular Formula: C27H30N6O2
• Molecular Weight: 470.58 g/mol
• Exact Mass: 470.24
• IUPAC Name: N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(-c2c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)[nH]c(C)c2C(C)=O)c1
• InChI: InChI=1S/C27H30N6O2/c1-16-24(17(2)34)25(19-6-5-7-20(14-19)29-18(3)35)26(28-16)27-30-22-9-8-21(15-23(22)31-27)33-12-10-32(4)11-13-33/h5-9,14-15,28H,10-13H2,1-4H3,(H,29,35)(H,30,31)
• InChIKey: YIADKXZEVKVEGO-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 97.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.58
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide?

The IUPAC name of N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide (CID 154688973) is N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)[nH]c(C)c2C(C)=O)c1.

What is the InChIKey of N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide?

The InChIKey is YIADKXZEVKVEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16-24(17(2)34)25(19-6-5-7-20(14-19)29-18(3)35)26(28-16)27-30-22-9-8-21(15-23(22)31-27)33-12-10-32(4)11-13-33/h5-9,14-15,28H,10-13H2,1-4H3,(H,29,35)(H,30,31).

What are the key properties of N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide?

N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide has a molecular weight of 470.58 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide is sourced from PubChem (CID 154688973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).