4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide

C₉₄H₈₀N₁₂O₉ — CID 158888472

About 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide

4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide (PubChem CID 158888472) has the molecular formula C₉₄H₈₀N₁₂O₉ and a molecular weight of 1521.75 g/mol. Its IUPAC name is 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide
• PubChem CID: 158888472
• Molecular Formula: C₉₄H₈₀N₁₂O₉
• Molecular Weight: 1521.75 g/mol
• Exact Mass: 1520.62
• IUPAC Name: 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21
• InChI: InChI=1S/C24H21N3O3.C24H21N3O2.2C23H19N3O2/c1-27-21-10-6-5-9-20(21)25-23(27)15-22(28)18-7-3-4-8-19(18)26-24(29)16-11-13-17(30-2)14-12-16;1-16-11-13-17(14-12-16)24(29)26-19-8-4-3-7-18(19)22(28)15-23-25-20-9-5-6-10-21(20)27(23)2;2*1-26-20-14-8-7-13-19(20)24-22(26)15-21(27)17-11-5-6-12-18(17)25-23(28)16-9-3-2-4-10-16/h3-14H,15H2,1-2H3,(H,26,29);3-14H,15H2,1-2H3,(H,26,29);2*2-14H,15H2,1H3,(H,25,28)
• InChIKey: JDXPQHUSGFXNPF-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 265.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1521.75
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?

The IUPAC name of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide (CID 158888472) is 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide.

What is the SMILES notation for 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?

The canonical SMILES for 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cc1ccc(C(=O)Nc2ccccc2C(=O)Cc2nc3ccccc3n2C)cc1.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.Cn1c(CC(=O)c2ccccc2NC(=O)c2ccccc2)nc2ccccc21.

What is the InChIKey of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?

The InChIKey is JDXPQHUSGFXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3.C24H21N3O2.2C23H19N3O2/c1-27-21-10-6-5-9-20(21)25-23(27)15-22(28)18-7-3-4-8-19(18)26-24(29)16-11-13-17(30-2)14-12-16;1-16-11-13-17(14-12-16)24(29)26-19-8-4-3-7-18(19)22(28)15-23-25-20-9-5-6-10-21(20)27(23)2;2*1-26-20-14-8-7-13-19(20)24-22(26)15-21(27)17-11-5-6-12-18(17)25-23(28)16-9-3-2-4-10-16/h3-14H,15H2,1-2H3,(H,26,29);3-14H,15H2,1-2H3,(H,26,29);2*2-14H,15H2,1H3,(H,25,28).

What are the key properties of 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide?

4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide has a molecular weight of 1521.75 g/mol, XLogP of 17.32, 21 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide;bis(N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide);4-methyl-N-[2-[2-(1-methylbenzimidazol-2-yl)acetyl]phenyl]benzamide is sourced from PubChem (CID 158888472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158888472 — identifiers, structure, computed properties (public domain)

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