1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole

C23H20N2O5S — CID 43814266

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N2O5S/c1-28-20-9-5-2-6-16(20)14-23-24-18-7-3-4-8-19(18)25(23)31(26,27)17-10-11-21-22(15-17)30-13-12-29-21/h2-11,15H,12-14H2,1H3
InChIKeyCLLTZIRSOUKJMC-UHFFFAOYSA-N
MW436.49 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole (PubChem CID 43814266) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole
PubChem CID43814266
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C23H20N2O5S/c1-28-20-9-5-2-6-16(20)14-23-24-18-7-3-4-8-19(18)25(23)31(26,27)17-10-11-21-22(15-17)30-13-12-29-21/h2-11,15H,12-14H2,1H3
InChIKeyCLLTZIRSOUKJMC-UHFFFAOYSA-N
XLogP3.64
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 11589588
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)benzimidazole
CID 6473069
4-[[1-(3,4-dimethylphenyl)sulfonylbenzimidazol-2-yl]methyl]morpholine
CID 71305121
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 43005135
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635399
4-(2-benzylbenzimidazol-1-yl)sulfonylaniline
CID 23822189
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]hexanamide
CID 55408550
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42267855
N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 31481947
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388653
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole (CID 43814266) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole is COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole?
The InChIKey is CLLTZIRSOUKJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-28-20-9-5-2-6-16(20)14-23-24-18-7-3-4-8-19(18)25(23)31(26,27)17-10-11-21-22(15-17)30-13-12-29-21/h2-11,15H,12-14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole has a molecular weight of 436.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-[(2-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 43814266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).