1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole

C15H14N2O3S — CID 778421

IUPAC1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1
InChIInChI=1S/C15H14N2O3S/c1-11-9-12(20-2)7-8-15(11)21(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyDVYBAJZIJCUZFK-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.59
Rot. Bonds3

About 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole

1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole (PubChem CID 778421) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole
PubChem CID778421
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1
InChIInChI=1S/C15H14N2O3S/c1-11-9-12(20-2)7-8-15(11)21(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3
InChIKeyDVYBAJZIJCUZFK-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-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole (CID 778421) is 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole is COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole?
The InChIKey is DVYBAJZIJCUZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-9-12(20-2)7-8-15(11)21(18,19)17-10-16-13-5-3-4-6-14(13)17/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole?
1-(4-methoxy-2-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-(4-methoxy-2-methylphenyl)sulfonylbenzimidazole is sourced from PubChem (CID 778421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).