3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide

C11H12N2O2S — CID 139266953

IUPAC3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
SMILESCc1nc2ccccc2n1C1CS(=O)(=O)C1
InChIInChI=1S/C11H12N2O2S/c1-8-12-10-4-2-3-5-11(10)13(8)9-6-16(14,15)7-9/h2-5,9H,6-7H2,1H3
InChIKeySRCPXPSJLFZDPQ-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.31
Rot. Bonds1

About 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide

3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide (PubChem CID 139266953) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
PubChem CID139266953
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
SMILESCc1nc2ccccc2n1C1CS(=O)(=O)C1
InChIInChI=1S/C11H12N2O2S/c1-8-12-10-4-2-3-5-11(10)13(8)9-6-16(14,15)7-9/h2-5,9H,6-7H2,1H3
InChIKeySRCPXPSJLFZDPQ-UHFFFAOYSA-N
XLogP1.31
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
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1-amino-3-(2-methylbenzimidazol-1-yl)cyclohexane-1-carboxylic acid
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[1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentyl]methanol
CID 79648173
2-[1-(1,1-dioxothiolan-3-yl)benzimidazol-2-yl]ethanamine
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ethyl 1-amino-3-(2-methylbenzimidazol-1-yl)cyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide?
The IUPAC name of 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide (CID 139266953) is 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide.
What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide?
The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide is Cc1nc2ccccc2n1C1CS(=O)(=O)C1.
What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide?
The InChIKey is SRCPXPSJLFZDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-8-12-10-4-2-3-5-11(10)13(8)9-6-16(14,15)7-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide?
3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide has a molecular weight of 236.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide is sourced from PubChem (CID 139266953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).