1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone

C23H22N4O3S — CID 155538716

IUPAC1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
SMILESCC(=O)N1CCCn2c1nc(C)c2-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H22N4O3S/c1-16-22(26-14-8-13-25(17(2)28)23(26)24-16)20-15-27(21-12-7-6-11-19(20)21)31(29,30)18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyQHDSLCOANJPNLJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.81
Rot. Bonds3

About 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone

1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone (PubChem CID 155538716) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
PubChem CID155538716
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone
SMILESCC(=O)N1CCCn2c1nc(C)c2-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C23H22N4O3S/c1-16-22(26-14-8-13-25(17(2)28)23(26)24-16)20-15-27(21-12-7-6-11-19(20)21)31(29,30)18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKeyQHDSLCOANJPNLJ-UHFFFAOYSA-N
XLogP3.81
TPSA77.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
The IUPAC name of 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone (CID 155538716) is 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone.
What is the SMILES notation for 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
The canonical SMILES for 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone is CC(=O)N1CCCn2c1nc(C)c2-c1cn(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
The InChIKey is QHDSLCOANJPNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16-22(26-14-8-13-25(17(2)28)23(26)24-16)20-15-27(21-12-7-6-11-19(20)21)31(29,30)18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3.
What are the key properties of 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone?
1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone has a molecular weight of 434.52 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(benzenesulfonyl)indol-3-yl]-2-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-8-yl]ethanone is sourced from PubChem (CID 155538716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).