Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate

C₂₃H₂₇N₃O₃ — CID 16982493

About Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate

Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate (PubChem CID 16982493) has the molecular formula C₂₃H₂₇N₃O₃ and a molecular weight of 393.49 g/mol. Its IUPAC name is propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate.

Molecular Properties

• Compound Name: Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
• PubChem CID: 16982493
• Molecular Formula: C₂₃H₂₇N₃O₃
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
• SMILES: Cc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)OC(C)C
• InChI: InChI=1S/C23H27N3O3/c1-16(2)29-22(27)15-26-20-12-7-6-11-19(20)25-21(26)13-8-14-24-23(28)18-10-5-4-9-17(18)3/h4-7,9-12,16H,8,13-15H2,1-3H3,(H,24,28)
• InChIKey: MIOLNBGDTGYSPK-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 73.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate?

The IUPAC name of Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate (CID 16982493) is propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate.

What is the SMILES notation for Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate?

The canonical SMILES for Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate is Cc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)OC(C)C.

What is the InChIKey of Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate?

The InChIKey is MIOLNBGDTGYSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16(2)29-22(27)15-26-20-12-7-6-11-19(20)25-21(26)13-8-14-24-23(28)18-10-5-4-9-17(18)3/h4-7,9-12,16H,8,13-15H2,1-3H3,(H,24,28).

What are the key properties of Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate?

Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate has a molecular weight of 393.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 16982493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 16982493 — identifiers, structure, computed properties (public domain)

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