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

C23H21N3O5S — CID 25263094

IUPAC3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccccc4C(C)=O)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C23H21N3O5S/c1-13(27)15-7-5-4-6-14(15)11-31-20-10-21(32-22(20)23(24)28)26-12-25-16-8-18(29-2)19(30-3)9-17(16)26/h4-10,12H,11H2,1-3H3,(H2,24,28)
InChIKeyCMFKBVPIQXKAAT-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.98
Rot. Bonds8

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

3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 25263094) has the molecular formula C23H21N3O5S and a molecular weight of 451.50 g/mol. Its IUPAC name is 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID25263094
Molecular FormulaC23H21N3O5S
Molecular Weight451.50 g/mol
Exact Mass451.12
IUPAC Name3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide
SMILESCOc1cc2ncn(-c3cc(OCc4ccccc4C(C)=O)c(C(N)=O)s3)c2cc1OC
InChIInChI=1S/C23H21N3O5S/c1-13(27)15-7-5-4-6-14(15)11-31-20-10-21(32-22(20)23(24)28)26-12-25-16-8-18(29-2)19(30-3)9-17(16)26/h4-10,12H,11H2,1-3H3,(H2,24,28)
InChIKeyCMFKBVPIQXKAAT-UHFFFAOYSA-N
XLogP3.98
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.98
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-methanesulfonyl-1H-1,3-benzodiazol-1-yl)-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carboxamide
CID 10074495
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
5-[5-(3-hydroxypropoxy)-6-methoxy-1H-1,3-benzodiazol-1-yl]-3-{[2-(trifluoromethyl)phenyl]methoxy}thiophene-2-carbonitrile
CID 11584228
3-[(3-aminophenyl)methoxy]-5-(5,6-dimethoxy-1H-1,3-benzodiazol-1-yl)thiophene-2-carboxamide
CID 11743086

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide (CID 25263094) is 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is COc1cc2ncn(-c3cc(OCc4ccccc4C(C)=O)c(C(N)=O)s3)c2cc1OC.
What is the InChIKey of 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is CMFKBVPIQXKAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5S/c1-13(27)15-7-5-4-6-14(15)11-31-20-10-21(32-22(20)23(24)28)26-12-25-16-8-18(29-2)19(30-3)9-17(16)26/h4-10,12H,11H2,1-3H3,(H2,24,28).
What are the key properties of 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide?
3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 451.50 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetylphenyl)methoxy]-5-(5,6-dimethoxybenzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25263094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).