1-methylsulfonylbenzimidazol-5-amine

C8H9N3O2S — CID 134294706

IUPAC1-methylsulfonylbenzimidazol-5-amine
SMILESCS(=O)(=O)n1cnc2cc(N)ccc21
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,9H2,1H3
InChIKeyCOBPGKVXCHVMLB-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.43
Rot. Bonds1

About 1-methylsulfonylbenzimidazol-5-amine

1-methylsulfonylbenzimidazol-5-amine (PubChem CID 134294706) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 1-methylsulfonylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-methylsulfonylbenzimidazol-5-amine
PubChem CID134294706
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name1-methylsulfonylbenzimidazol-5-amine
SMILESCS(=O)(=O)n1cnc2cc(N)ccc21
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,9H2,1H3
InChIKeyCOBPGKVXCHVMLB-UHFFFAOYSA-N
XLogP0.43
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonylbenzimidazol-5-amine?
The IUPAC name of 1-methylsulfonylbenzimidazol-5-amine (CID 134294706) is 1-methylsulfonylbenzimidazol-5-amine.
What is the SMILES notation for 1-methylsulfonylbenzimidazol-5-amine?
The canonical SMILES for 1-methylsulfonylbenzimidazol-5-amine is CS(=O)(=O)n1cnc2cc(N)ccc21.
What is the InChIKey of 1-methylsulfonylbenzimidazol-5-amine?
The InChIKey is COBPGKVXCHVMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-14(12,13)11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,9H2,1H3.
What are the key properties of 1-methylsulfonylbenzimidazol-5-amine?
1-methylsulfonylbenzimidazol-5-amine has a molecular weight of 211.25 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonylbenzimidazol-5-amine is sourced from PubChem (CID 134294706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).