5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide

C20H17N3O3S — CID 25263078

IUPAC5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide
SMILESCOc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1
InChIInChI=1S/C20H17N3O3S/c1-25-14-6-4-5-13(9-14)11-26-17-10-18(27-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyDSRCAFSFCNIHTE-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.77
Rot. Bonds6

About 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide

5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide (PubChem CID 25263078) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide
PubChem CID25263078
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide
SMILESCOc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1
InChIInChI=1S/C20H17N3O3S/c1-25-14-6-4-5-13(9-14)11-26-17-10-18(27-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyDSRCAFSFCNIHTE-UHFFFAOYSA-N
XLogP3.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-(1H-Benzimidazol-1-yl)-3-[(phenylmethyl)oxy]-2-thiophenecarbonitrile
CID 11709714
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 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide (CID 25263078) is 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide is COc1cccc(COc2cc(-n3cnc4ccccc43)sc2C(N)=O)c1.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The InChIKey is DSRCAFSFCNIHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-14-6-4-5-13(9-14)11-26-17-10-18(27-19(17)20(21)24)23-12-22-15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3,(H2,21,24).
What are the key properties of 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide?
5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 25263078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).