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

C23H24N4O4S — CID 25263096

IUPAC5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4cccc(N(C)C)c4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C23H24N4O4S/c1-26(2)15-7-5-6-14(8-15)12-31-20-11-21(32-22(20)23(24)28)27-13-25-16-9-18(29-3)19(30-4)10-17(16)27/h5-11,13H,12H2,1-4H3,(H2,24,28)
InChIKeyOKLYPNBPHHIICB-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.85
Rot. Bonds8

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

5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide (PubChem CID 25263096) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide
PubChem CID25263096
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4cccc(N(C)C)c4)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C23H24N4O4S/c1-26(2)15-7-5-6-14(8-15)12-31-20-11-21(32-22(20)23(24)28)27-13-25-16-9-18(29-3)19(30-4)10-17(16)27/h5-11,13H,12H2,1-4H3,(H2,24,28)
InChIKeyOKLYPNBPHHIICB-UHFFFAOYSA-N
XLogP3.85
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(6-((4-Methyl-1-piperazinyl)methyl)-1H-benzimidazol-1-yl)-3-((1R)-1-(2-(trifluoromethyl)phenyl)ethoxy)-2-thiophenecarboxamide
CID 15983966
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

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide (CID 25263096) is 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCc4cccc(N(C)C)c4)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide?
The InChIKey is OKLYPNBPHHIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-26(2)15-7-5-6-14(8-15)12-31-20-11-21(32-22(20)23(24)28)27-13-25-16-9-18(29-3)19(30-4)10-17(16)27/h5-11,13H,12H2,1-4H3,(H2,24,28).
What are the key properties of 5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide?
5-(5,6-dimethoxybenzimidazol-1-yl)-3-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 3.85, 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-[[3-(dimethylamino)phenyl]methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 25263096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).