2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole

C13H12N2O3S2 — CID 82007938

IUPAC2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
SMILESCOc1ccsc1-c1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C13H12N2O3S2/c1-18-9-6-7-19-12(9)13-14-8-4-3-5-10(11(8)15-13)20(2,16)17/h3-7H,1-2H3,(H,14,15)
InChIKeyMJVFYMUFSBMOFV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole

2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole (PubChem CID 82007938) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
PubChem CID82007938
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole
SMILESCOc1ccsc1-c1nc2c(S(C)(=O)=O)cccc2[nH]1
InChIInChI=1S/C13H12N2O3S2/c1-18-9-6-7-19-12(9)13-14-8-4-3-5-10(11(8)15-13)20(2,16)17/h3-7H,1-2H3,(H,14,15)
InChIKeyMJVFYMUFSBMOFV-UHFFFAOYSA-N
XLogP2.70
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
The IUPAC name of 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole (CID 82007938) is 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole is COc1ccsc1-c1nc2c(S(C)(=O)=O)cccc2[nH]1.
What is the InChIKey of 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
The InChIKey is MJVFYMUFSBMOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c1-18-9-6-7-19-12(9)13-14-8-4-3-5-10(11(8)15-13)20(2,16)17/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole?
2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole has a molecular weight of 308.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxythiophen-2-yl)-4-methylsulfonyl-1H-benzimidazole is sourced from PubChem (CID 82007938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).