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

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Related Compounds

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CID 10527264
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CID 10549616
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CID 10620872
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CID 10624347
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CID 10715771
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CID 10836185
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CID 11743669
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).