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

C20H17N3O3S — CID 25263077

IUPAC5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide
SMILESCOc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(N)=O
InChIInChI=1S/C20H17N3O3S/c1-25-16-9-5-2-6-13(16)11-26-17-10-18(27-19(17)20(21)24)23-12-22-14-7-3-4-8-15(14)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyDHVZYFGOAOVOBJ-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.77
Rot. Bonds6

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

5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide (PubChem CID 25263077) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide
PubChem CID25263077
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide
SMILESCOc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(N)=O
InChIInChI=1S/C20H17N3O3S/c1-25-16-9-5-2-6-13(16)11-26-17-10-18(27-19(17)20(21)24)23-12-22-14-7-3-4-8-15(14)23/h2-10,12H,11H2,1H3,(H2,21,24)
InChIKeyDHVZYFGOAOVOBJ-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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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide (CID 25263077) is 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide is COc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(N)=O.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide?
The InChIKey is DHVZYFGOAOVOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-25-16-9-5-2-6-13(16)11-26-17-10-18(27-19(17)20(21)24)23-12-22-14-7-3-4-8-15(14)23/h2-10,12H,11H2,1H3,(H2,21,24).
What are the key properties of 5-(benzimidazol-1-yl)-3-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide?
5-(benzimidazol-1-yl)-3-[(2-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-[(2-methoxyphenyl)methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 25263077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).