1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

C19H16N6OS — CID 170341095

IUPAC1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(-c1cccc(C)n1)c2-c1cccc2snnc12
InChIInChI=1S/C19H16N6OS/c1-11-5-3-7-14(20-11)17-18(13-6-4-8-15-16(13)22-23-27-15)25-10-9-24(12(2)26)19(25)21-17/h3-8H,9-10H2,1-2H3
InChIKeyOUDYBWNPBGEURS-UHFFFAOYSA-N
MW376.45 g/mol
LogP3.29
Rot. Bonds2

About 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (PubChem CID 170341095) has the molecular formula C19H16N6OS and a molecular weight of 376.45 g/mol. Its IUPAC name is 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
PubChem CID170341095
Molecular FormulaC19H16N6OS
Molecular Weight376.45 g/mol
Exact Mass376.11
IUPAC Name1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCC(=O)N1CCn2c1nc(-c1cccc(C)n1)c2-c1cccc2snnc12
InChIInChI=1S/C19H16N6OS/c1-11-5-3-7-14(20-11)17-18(13-6-4-8-15-16(13)22-23-27-15)25-10-9-24(12(2)26)19(25)21-17/h3-8H,9-10H2,1-2H3
InChIKeyOUDYBWNPBGEURS-UHFFFAOYSA-N
XLogP3.29
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The IUPAC name of 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (CID 170341095) is 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is CC(=O)N1CCn2c1nc(-c1cccc(C)n1)c2-c1cccc2snnc12.
What is the InChIKey of 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The InChIKey is OUDYBWNPBGEURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6OS/c1-11-5-3-7-14(20-11)17-18(13-6-4-8-15-16(13)22-23-27-15)25-10-9-24(12(2)26)19(25)21-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone has a molecular weight of 376.45 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,2,3-benzothiadiazol-4-yl)-6-(6-methyl-2-pyridinyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is sourced from PubChem (CID 170341095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).