5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide

C22H21N3O5S — CID 25263098

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide
SMILESCOc1ccc(COc2cc(-n3cnc4cc(OC)c(OC)cc43)sc2C(N)=O)cc1
InChIInChI=1S/C22H21N3O5S/c1-27-14-6-4-13(5-7-14)11-30-19-10-20(31-21(19)22(23)26)25-12-24-15-8-17(28-2)18(29-3)9-16(15)25/h4-10,12H,11H2,1-3H3,(H2,23,26)
InChIKeySBNGSSJCJRSCAZ-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.79
Rot. Bonds8

About 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide

5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide (PubChem CID 25263098) has the molecular formula C22H21N3O5S and a molecular weight of 439.49 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide
PubChem CID25263098
Molecular FormulaC22H21N3O5S
Molecular Weight439.49 g/mol
Exact Mass439.12
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide
SMILESCOc1ccc(COc2cc(-n3cnc4cc(OC)c(OC)cc43)sc2C(N)=O)cc1
InChIInChI=1S/C22H21N3O5S/c1-27-14-6-4-13(5-7-14)11-30-19-10-20(31-21(19)22(23)26)25-12-24-15-8-17(28-2)18(29-3)9-16(15)25/h4-10,12H,11H2,1-3H3,(H2,23,26)
InChIKeySBNGSSJCJRSCAZ-UHFFFAOYSA-N
XLogP3.79
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(5,6-Bis(methyloxy)-1H-benzimidazol-1-YL)-3-((1-(2-chlorophenyl)ethyl)oxy)-2-thiophenecarboxamide
CID 11957417
GW843682X
CID 9826308
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-(6-methoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 25263118
3-[(1R)-1-(2-chlorophenyl)ethoxy]-5-{6-[(2S)-2,3-dihydroxypropoxy]-1H-1,3-benzodiazol-1-yl}thiophene-2-carboxamide
CID 25263120
5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethoxy)phenyl]methoxy}thiophene-2-carboxamide
CID 9983158
5-(6-methoxy-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10253033
3-[(2-bromophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 10254917
5-(1H-Benzimidazol-1-yl)-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
CID 10409707
Gsk-319347A
CID 11626927
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 11743086
5-[6-(4-Piperidinyloxy)-1H-benzimidazol-1-yl]-3-({(1R)-1-[2-(trifluoromethyl)phenyl]ethyl}oxy)-2-thiophenecarboxamide
CID 16050921
5-{6-[(1-Methylpiperidin-4-Yl)oxy]-1h-Benzimidazol-1-Yl}-3-{(1r)-1-[2-(Trifluoromethyl)phenyl]ethoxy}thiophene-2-Carboxamide
CID 16050925

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide (CID 25263098) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide is COc1ccc(COc2cc(-n3cnc4cc(OC)c(OC)cc43)sc2C(N)=O)cc1.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The InChIKey is SBNGSSJCJRSCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5S/c1-27-14-6-4-13(5-7-14)11-30-19-10-20(31-21(19)22(23)26)25-12-24-15-8-17(28-2)18(29-3)9-16(15)25/h4-10,12H,11H2,1-3H3,(H2,23,26).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide has a molecular weight of 439.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[(4-methoxyphenyl)methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 25263098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).