1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole

C22H20N2O4S — CID 11589588

IUPAC1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H20N2O4S/c1-27-20-13-12-16(14-21(20)28-2)15-22-23-18-10-6-7-11-19(18)24(22)29(25,26)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
InChIKeyAYAHPQQDOQKTHV-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.88
Rot. Bonds6

About 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole

1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole (PubChem CID 11589588) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
PubChem CID11589588
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
SMILESCOc1ccc(Cc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C22H20N2O4S/c1-27-20-13-12-16(14-21(20)28-2)15-22-23-18-10-6-7-11-19(18)24(22)29(25,26)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3
InChIKeyAYAHPQQDOQKTHV-UHFFFAOYSA-N
XLogP3.88
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-benzylbenzimidazol-1-yl)sulfonylaniline
CID 23822189
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
2-[(3,4-dimethoxyphenyl)methyl]-1-(2-phenoxyethyl)benzimidazole
CID 3160716
2-[(3,4-dimethoxyphenyl)methyl]-1-(3-phenoxypropyl)benzimidazole
CID 18878538
2-[(3,4-dimethoxyphenyl)methyl]-1-octadecylbenzimidazole
CID 18878488
2-[(3,4-dimethoxyphenyl)methyl]-1-octylbenzimidazole
CID 18878494
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole
CID 43814266
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(3,5-dimethylphenyl)acetamide
CID 17032658
1-[2-(2-chlorophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 18878525
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 17032647

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole (CID 11589588) is 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole is COc1ccc(Cc2nc3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole?
The InChIKey is AYAHPQQDOQKTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-27-20-13-12-16(14-21(20)28-2)15-22-23-18-10-6-7-11-19(18)24(22)29(25,26)17-8-4-3-5-9-17/h3-14H,15H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole?
1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole has a molecular weight of 408.48 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 11589588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).