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

C20H23N3O3S — CID 21137742

IUPAC3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
SMILESCOc1ccc2nc(COc3ccc(CC(SC)C(N)=O)cc3)n(C)c2c1
InChIInChI=1S/C20H23N3O3S/c1-23-17-11-15(25-2)8-9-16(17)22-19(23)12-26-14-6-4-13(5-7-14)10-18(27-3)20(21)24/h4-9,11,18H,10,12H2,1-3H3,(H2,21,24)
InChIKeyYRWDVEHLYSHYAE-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.92
Rot. Bonds8

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

3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide (PubChem CID 21137742) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide.

Molecular Properties

Compound Name3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
PubChem CID21137742
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide
SMILESCOc1ccc2nc(COc3ccc(CC(SC)C(N)=O)cc3)n(C)c2c1
InChIInChI=1S/C20H23N3O3S/c1-23-17-11-15(25-2)8-9-16(17)22-19(23)12-26-14-6-4-13(5-7-14)10-18(27-3)20(21)24/h4-9,11,18H,10,12H2,1-3H3,(H2,21,24)
InChIKeyYRWDVEHLYSHYAE-UHFFFAOYSA-N
XLogP2.92
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
The IUPAC name of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide (CID 21137742) is 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide.
What is the SMILES notation for 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
The canonical SMILES for 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide is COc1ccc2nc(COc3ccc(CC(SC)C(N)=O)cc3)n(C)c2c1.
What is the InChIKey of 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide?
The InChIKey is YRWDVEHLYSHYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-23-17-11-15(25-2)8-9-16(17)22-19(23)12-26-14-6-4-13(5-7-14)10-18(27-3)20(21)24/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-methylsulfanylpropanamide?
3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide has a molecular weight of 385.49 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanamide is sourced from PubChem (CID 21137742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).