1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole

C22H20N2O4S — CID 55732984

IUPAC1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
SMILESCOc1ccc(-n2c(COc3cccc(S(C)(=O)=O)c3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O4S/c1-27-17-12-10-16(11-13-17)24-21-9-4-3-8-20(21)23-22(24)15-28-18-6-5-7-19(14-18)29(2,25)26/h3-14H,15H2,1-2H3
InChIKeyLZFGUKGDFNGTRW-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.02
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole

1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole (PubChem CID 55732984) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
PubChem CID55732984
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
SMILESCOc1ccc(-n2c(COc3cccc(S(C)(=O)=O)c3)nc3ccccc32)cc1
InChIInChI=1S/C22H20N2O4S/c1-27-17-12-10-16(11-13-17)24-21-9-4-3-8-20(21)23-22(24)15-28-18-6-5-7-19(14-18)29(2,25)26/h3-14H,15H2,1-2H3
InChIKeyLZFGUKGDFNGTRW-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(difluoromethyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole
CID 55733438
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26931379
2-ethyl-5-methylsulfonyl-1-phenylbenzimidazole
CID 173238831
3-[2-[(4-iodophenoxy)methyl]benzimidazol-1-yl]aniline
CID 172640254
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol
CID 54045583
2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]methyl-methylamino]propanoic acid
CID 119913764
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16998094
[1-(4-hydroxyphenyl)benzimidazol-2-yl]-(3-methoxyphenyl)methanone
CID 132570584
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
2-[2-[(3-methoxyphenoxy)methyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16998160

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole (CID 55732984) is 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole is COc1ccc(-n2c(COc3cccc(S(C)(=O)=O)c3)nc3ccccc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
The InChIKey is LZFGUKGDFNGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-27-17-12-10-16(11-13-17)24-21-9-4-3-8-20(21)23-22(24)15-28-18-6-5-7-19(14-18)29(2,25)26/h3-14H,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole?
1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole has a molecular weight of 408.48 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(3-methylsulfonylphenoxy)methyl]benzimidazole is sourced from PubChem (CID 55732984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).