1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone

C23H21N5O3S — CID 5308655

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12
InChIInChI=1S/C23H21N5O3S/c29-22(27-15-14-26-18-9-2-1-8-17(18)25-23(26)27)19-10-5-13-28(19)32(30,31)20-11-3-6-16-7-4-12-24-21(16)20/h1-4,6-9,11-12,19H,5,10,13-15H2
InChIKeyQNEZKPVRJPTWRI-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.78
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 5308655) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
PubChem CID5308655
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone
SMILESO=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12
InChIInChI=1S/C23H21N5O3S/c29-22(27-15-14-26-18-9-2-1-8-17(18)25-23(26)27)19-10-5-13-28(19)32(30,31)20-11-3-6-16-7-4-12-24-21(16)20/h1-4,6-9,11-12,19H,5,10,13-15H2
InChIKeyQNEZKPVRJPTWRI-UHFFFAOYSA-N
XLogP2.78
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone (CID 5308655) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone is O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is QNEZKPVRJPTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c29-22(27-15-14-26-18-9-2-1-8-17(18)25-23(26)27)19-10-5-13-28(19)32(30,31)20-11-3-6-16-7-4-12-24-21(16)20/h1-4,6-9,11-12,19H,5,10,13-15H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 447.52 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 5308655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).