1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole

C15H14N2O3S — CID 686062

IUPAC1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C15H14N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3
InChIKeyBCZAVYVHCOLHTM-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.59
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole

1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole (PubChem CID 686062) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole
PubChem CID686062
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21
InChIInChI=1S/C15H14N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3
InChIKeyBCZAVYVHCOLHTM-UHFFFAOYSA-N
XLogP2.59
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole (CID 686062) is 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole is COc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole?
The InChIKey is BCZAVYVHCOLHTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-7-8-14(20-2)15(9-11)21(18,19)17-10-16-12-5-3-4-6-13(12)17/h3-10H,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole?
1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole has a molecular weight of 302.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 686062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).