5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole

C7H11N3O4S — CID 118613837

IUPAC5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCOc1nc2c(n1S(C)(=O)=O)CN(O)C2
InChIInChI=1S/C7H11N3O4S/c1-14-7-8-5-3-9(11)4-6(5)10(7)15(2,12)13/h11H,3-4H2,1-2H3
InChIKeyCBKUAXMTCXHXGC-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.60
Rot. Bonds2

About 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole

5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613837) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613837
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCOc1nc2c(n1S(C)(=O)=O)CN(O)C2
InChIInChI=1S/C7H11N3O4S/c1-14-7-8-5-3-9(11)4-6(5)10(7)15(2,12)13/h11H,3-4H2,1-2H3
InChIKeyCBKUAXMTCXHXGC-UHFFFAOYSA-N
XLogP-0.60
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-2-methylsulfonyl-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613841
5-Hydroxy-2-methoxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613848
2-Ethoxy-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613853
5-Hydroxy-3-methyl-2-methylsulfinyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613854
3-Ethyl-5-hydroxy-2-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614260

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613837) is 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole is COc1nc2c(n1S(C)(=O)=O)CN(O)C2.
What is the InChIKey of 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is CBKUAXMTCXHXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-14-7-8-5-3-9(11)4-6(5)10(7)15(2,12)13/h11H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 233.25 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methoxy-3-methylsulfonyl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).