N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C27H25N5O4S — CID 20865758

About N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 20865758) has the molecular formula C27H25N5O4S and a molecular weight of 515.60 g/mol. Its IUPAC name is N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• PubChem CID: 20865758
• Molecular Formula: C27H25N5O4S
• Molecular Weight: 515.60 g/mol
• Exact Mass: 515.16
• IUPAC Name: N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
• SMILES: O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCn4c3nc3ccccc34)ccc2N1
• InChI: InChI=1S/C27H25N5O4S/c33-25-13-10-19-17-20(11-12-21(19)28-25)37(35,36)30-23(16-18-6-2-1-3-7-18)26(34)32-15-14-31-24-9-5-4-8-22(24)29-27(31)32/h1-9,11-12,17,23,30H,10,13-16H2,(H,28,33)
• InChIKey: DVRPWMDQNRNMPN-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 113.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.60
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The IUPAC name of N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 20865758) is N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

What is the SMILES notation for N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The canonical SMILES for N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)N3CCn4c3nc3ccccc34)ccc2N1.

What is the InChIKey of N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

The InChIKey is DVRPWMDQNRNMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4S/c33-25-13-10-19-17-20(11-12-21(19)28-25)37(35,36)30-23(16-18-6-2-1-3-7-18)26(34)32-15-14-31-24-9-5-4-8-22(24)29-27(31)32/h1-9,11-12,17,23,30H,10,13-16H2,(H,28,33).

What are the key properties of N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?

N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 515.60 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-oxo-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 20865758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).