2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate

C18H22N5O4- — CID 8016164

About 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate

2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate (PubChem CID 8016164) has the molecular formula C18H22N5O4- and a molecular weight of 372.41 g/mol. Its IUPAC name is 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate.

Molecular Properties

• Compound Name: 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate
• PubChem CID: 8016164
• Molecular Formula: C18H22N5O4-
• Molecular Weight: 372.41 g/mol
• Exact Mass: 372.17
• IUPAC Name: 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate
• SMILES: O=C([O-])CNC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12
• InChI: InChI=1S/C18H23N5O4/c24-15(20-12-16(25)26)8-2-1-5-9-19-18(27)23-11-10-22-14-7-4-3-6-13(14)21-17(22)23/h3-4,6-7H,1-2,5,8-12H2,(H,19,27)(H,20,24)(H,25,26)/p-1
• InChIKey: ZARDJGVHRIWAMD-UHFFFAOYSA-M
• XLogP: -0.01
• TPSA: 119.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.41
LogP ≤ 5	-0.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate?

The IUPAC name of 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate (CID 8016164) is 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate.

What is the SMILES notation for 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate?

The canonical SMILES for 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate is O=C([O-])CNC(=O)CCCCCNC(=O)N1CCn2c1nc1ccccc12.

What is the InChIKey of 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate?

The InChIKey is ZARDJGVHRIWAMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H23N5O4/c24-15(20-12-16(25)26)8-2-1-5-9-19-18(27)23-11-10-22-14-7-4-3-6-13(14)21-17(22)23/h3-4,6-7H,1-2,5,8-12H2,(H,19,27)(H,20,24)(H,25,26)/p-1.

What are the key properties of 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate?

2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate has a molecular weight of 372.41 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonylamino)hexanoylamino]acetate is sourced from PubChem (CID 8016164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).