2-sulfonyl-1,3-dihydrobenzimidazole

C7H6N2O2S — CID 10419816

IUPAC2-sulfonyl-1,3-dihydrobenzimidazole
SMILESO=S(=O)=c1[nH]c2ccccc2[nH]1
InChIInChI=1S/C7H6N2O2S/c10-12(11)7-8-5-3-1-2-4-6(5)9-7/h1-4,8-9H
InChIKeyVNQSJROWHKEIMD-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.91
Rot. Bonds

About 2-sulfonyl-1,3-dihydrobenzimidazole

2-sulfonyl-1,3-dihydrobenzimidazole (PubChem CID 10419816) has the molecular formula C7H6N2O2S and a molecular weight of 182.20 g/mol. Its IUPAC name is 2-sulfonyl-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-sulfonyl-1,3-dihydrobenzimidazole
PubChem CID10419816
Molecular FormulaC7H6N2O2S
Molecular Weight182.20 g/mol
Exact Mass182.01
IUPAC Name2-sulfonyl-1,3-dihydrobenzimidazole
SMILESO=S(=O)=c1[nH]c2ccccc2[nH]1
InChIInChI=1S/C7H6N2O2S/c10-12(11)7-8-5-3-1-2-4-6(5)9-7/h1-4,8-9H
InChIKeyVNQSJROWHKEIMD-UHFFFAOYSA-N
XLogP0.91
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfonyl-1,3-dihydrobenzimidazole?
The IUPAC name of 2-sulfonyl-1,3-dihydrobenzimidazole (CID 10419816) is 2-sulfonyl-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-sulfonyl-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-sulfonyl-1,3-dihydrobenzimidazole is O=S(=O)=c1[nH]c2ccccc2[nH]1.
What is the InChIKey of 2-sulfonyl-1,3-dihydrobenzimidazole?
The InChIKey is VNQSJROWHKEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2S/c10-12(11)7-8-5-3-1-2-4-6(5)9-7/h1-4,8-9H.
What are the key properties of 2-sulfonyl-1,3-dihydrobenzimidazole?
2-sulfonyl-1,3-dihydrobenzimidazole has a molecular weight of 182.20 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonyl-1,3-dihydrobenzimidazole is sourced from PubChem (CID 10419816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).