1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole

C12H13N3O2S — CID 176872113

IUPAC1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
SMILESCS(=O)(=O)c1cccc(N2CCn3ccnc32)c1
InChIInChI=1S/C12H13N3O2S/c1-18(16,17)11-4-2-3-10(9-11)15-8-7-14-6-5-13-12(14)15/h2-6,9H,7-8H2,1H3
InChIKeyPOVJKIOMQMUFBK-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole

1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole (PubChem CID 176872113) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
PubChem CID176872113
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole
SMILESCS(=O)(=O)c1cccc(N2CCn3ccnc32)c1
InChIInChI=1S/C12H13N3O2S/c1-18(16,17)11-4-2-3-10(9-11)15-8-7-14-6-5-13-12(14)15/h2-6,9H,7-8H2,1H3
InChIKeyPOVJKIOMQMUFBK-UHFFFAOYSA-N
XLogP1.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
The IUPAC name of 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole (CID 176872113) is 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole.
What is the SMILES notation for 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
The canonical SMILES for 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole is CS(=O)(=O)c1cccc(N2CCn3ccnc32)c1.
What is the InChIKey of 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
The InChIKey is POVJKIOMQMUFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-18(16,17)11-4-2-3-10(9-11)15-8-7-14-6-5-13-12(14)15/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole?
1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole has a molecular weight of 263.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylsulfonylphenyl)-2,3-dihydroimidazo[1,2-a]imidazole is sourced from PubChem (CID 176872113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).