1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

C24H23N5O3S — CID 5307588

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C24H23N5O3S/c30-23(29-16-15-28-20-8-2-1-7-19(20)26-24(28)29)18-10-13-27(14-11-18)33(31,32)21-9-3-5-17-6-4-12-25-22(17)21/h1-9,12,18H,10-11,13-16H2
InChIKeyBTLVITBYDTYASE-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.03
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 5307588) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
PubChem CID5307588
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C24H23N5O3S/c30-23(29-16-15-28-20-8-2-1-7-19(20)26-24(28)29)18-10-13-27(14-11-18)33(31,32)21-9-3-5-17-6-4-12-25-22(17)21/h1-9,12,18H,10-11,13-16H2
InChIKeyBTLVITBYDTYASE-UHFFFAOYSA-N
XLogP3.03
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.03
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-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (CID 5307588) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is BTLVITBYDTYASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c30-23(29-16-15-28-20-8-2-1-7-19(20)26-24(28)29)18-10-13-27(14-11-18)33(31,32)21-9-3-5-17-6-4-12-25-22(17)21/h1-9,12,18H,10-11,13-16H2.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 461.55 g/mol, XLogP of 3.03, 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-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 5307588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).