1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole

C17H18N2O3S — CID 706568

IUPAC1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCOc1cc(C)ccc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C17H18N2O3S/c1-11-5-6-17(16(7-11)22-4)23(20,21)19-10-18-14-8-12(2)13(3)9-15(14)19/h5-10H,1-4H3
InChIKeyLWQZUGAYXGCSFI-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.21
Rot. Bonds3

About 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 706568) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID706568
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCOc1cc(C)ccc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
InChIInChI=1S/C17H18N2O3S/c1-11-5-6-17(16(7-11)22-4)23(20,21)19-10-18-14-8-12(2)13(3)9-15(14)19/h5-10H,1-4H3
InChIKeyLWQZUGAYXGCSFI-UHFFFAOYSA-N
XLogP3.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 706568) is 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole is COc1cc(C)ccc1S(=O)(=O)n1cnc2cc(C)c(C)cc21.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is LWQZUGAYXGCSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-5-6-17(16(7-11)22-4)23(20,21)19-10-18-14-8-12(2)13(3)9-15(14)19/h5-10H,1-4H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole has a molecular weight of 330.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 706568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).