1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

C22H20N4O3S — CID 155549153

IUPAC1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(C)c2-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H20N4O3S/c1-15-21(25-13-12-24(16(2)27)22(25)23-15)19-14-26(20-11-7-6-10-18(19)20)30(28,29)17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3
InChIKeyIWADYAGRRVKERL-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.42
Rot. Bonds3

About 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (PubChem CID 155549153) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
PubChem CID155549153
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(C)c2-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H20N4O3S/c1-15-21(25-13-12-24(16(2)27)22(25)23-15)19-14-26(20-11-7-6-10-18(19)20)30(28,29)17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3
InChIKeyIWADYAGRRVKERL-UHFFFAOYSA-N
XLogP3.42
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The IUPAC name of 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (CID 155549153) is 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is CC(=O)N1CCn2c1nc(C)c2-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The InChIKey is IWADYAGRRVKERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-15-21(25-13-12-24(16(2)27)22(25)23-15)19-14-26(20-11-7-6-10-18(19)20)30(28,29)17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone has a molecular weight of 420.49 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(benzenesulfonyl)indol-3-yl]-6-methyl-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is sourced from PubChem (CID 155549153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).