2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione

C18H17N3O4S — CID 167228469

IUPAC2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
SMILESCC1CC=C(S(C)(=O)=O)c2nc(CN3C(=O)c4ccccc4C3=O)cn21
InChIInChI=1S/C18H17N3O4S/c1-11-7-8-15(26(2,24)25)16-19-12(9-20(11)16)10-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyFBQVNGKDVNTBJP-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.03
Rot. Bonds3

About 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione

2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 167228469) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
PubChem CID167228469
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
SMILESCC1CC=C(S(C)(=O)=O)c2nc(CN3C(=O)c4ccccc4C3=O)cn21
InChIInChI=1S/C18H17N3O4S/c1-11-7-8-15(26(2,24)25)16-19-12(9-20(11)16)10-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-6,8-9,11H,7,10H2,1-2H3
InChIKeyFBQVNGKDVNTBJP-UHFFFAOYSA-N
XLogP2.03
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(imidazo[2,1-b][1,3]oxazol-6-ylmethyl)isoindole-1,3-dione
CID 177333947
2-[(3-fluoro-4-methylsulfonylphenyl)methyl]isoindole-1,3-dione
CID 86711602
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione
CID 131122854
2-[[8-(azetidin-3-yl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]isoindole-1,3-dione
CID 165131617
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453
2-[[1-(1,4-dioxonaphthalen-2-yl)triazol-4-yl]methyl]isoindole-1,3-dione
CID 73351877
2-[[5-[(1,3-dioxoisoindol-2-yl)methyl]-2,4-dimethylphenyl]methyl]isoindole-1,3-dione
CID 5094148
2-[(5-ethoxy-2-pyridinyl)methyl]isoindole-1,3-dione
CID 71859722
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 19133035
2-[(4-methylphenyl)methyl]isoquinoline-1,3,4-trione
CID 177415175
2-(pyridazin-3-ylmethyl)isoindole-1,3-dione
CID 66630616

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione (CID 167228469) is 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione is CC1CC=C(S(C)(=O)=O)c2nc(CN3C(=O)c4ccccc4C3=O)cn21.
What is the InChIKey of 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is FBQVNGKDVNTBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-11-7-8-15(26(2,24)25)16-19-12(9-20(11)16)10-21-17(22)13-5-3-4-6-14(13)18(21)23/h3-6,8-9,11H,7,10H2,1-2H3.
What are the key properties of 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione?
2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 371.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-8-methylsulfonyl-5,6-dihydroimidazo[1,2-a]pyridin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 167228469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).