3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide

C20H23N3O5S — CID 21137746

IUPAC3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide
SMILESCOc1ccc2nc(COc3ccc(CC(C(N)=O)S(C)(=O)=O)cc3)n(C)c2c1
InChIInChI=1S/C20H23N3O5S/c1-23-17-11-15(27-2)8-9-16(17)22-19(23)12-28-14-6-4-13(5-7-14)10-18(20(21)24)29(3,25)26/h4-9,11,18H,10,12H2,1-3H3,(H2,21,24)
InChIKeyCFOSYNLCBUVBPB-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.60
Rot. Bonds8

About 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide

3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide (PubChem CID 21137746) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide
PubChem CID21137746
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Name3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide
SMILESCOc1ccc2nc(COc3ccc(CC(C(N)=O)S(C)(=O)=O)cc3)n(C)c2c1
InChIInChI=1S/C20H23N3O5S/c1-23-17-11-15(27-2)8-9-16(17)22-19(23)12-28-14-6-4-13(5-7-14)10-18(20(21)24)29(3,25)26/h4-9,11,18H,10,12H2,1-3H3,(H2,21,24)
InChIKeyCFOSYNLCBUVBPB-UHFFFAOYSA-N
XLogP1.60
TPSA113.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide with MolForge

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Related Compounds

Efatutazone
CID 9832447
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Rivoglitazone hydrochloride
CID 9889104
Efatutazone Dihydrochloride
CID 16719220
5-[[4-[[6-(3-Tert-butyl-4-hydroxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86758441
5-{4-(3-Methyl-5-phenylimidazo[5,4-b]pyridin-2-ylmethoxy)benzyl}thiazolidine-2,4-dione
CID 10527264
5-{4-(5-Ethoxy-3-methylimidazo[5,4-b]pyridin-2-ylmethoxy)benzyl}thiazolidine-2,4-dione
CID 10549616
5-[[4-[(5-Methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10620872
5-{4-(5-Benzyloxy-3-methylimidazo[5,4-b]pyridin-2-ylmethoxy)benzyl}thiazolidine-2,4-dione
CID 10624347
5-[[4-[(3,5,7-Trimethylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10715771
5-{4-(5-Isopropoxy-3-methylimidazo[5,4-b]pyridin-2-ylmethoxy)benzyl}thiazolidine-2,4-dione
CID 10836185
5-[[4-[(5-Methoxy-3-methylimidazo[4,5-b]pyridin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 11743669

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide?
The IUPAC name of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide (CID 21137746) is 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide.
What is the SMILES notation for 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide?
The canonical SMILES for 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide is COc1ccc2nc(COc3ccc(CC(C(N)=O)S(C)(=O)=O)cc3)n(C)c2c1.
What is the InChIKey of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide?
The InChIKey is CFOSYNLCBUVBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-23-17-11-15(27-2)8-9-16(17)22-19(23)12-28-14-6-4-13(5-7-14)10-18(20(21)24)29(3,25)26/h4-9,11,18H,10,12H2,1-3H3,(H2,21,24).
What are the key properties of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide?
3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide has a molecular weight of 417.49 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfonylpropanamide is sourced from PubChem (CID 21137746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).