5-(benzimidazol-1-yl)thiophene-2-carboxamide

C12H9N3OS — CID 58284917

IUPAC5-(benzimidazol-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C12H9N3OS/c13-12(16)10-5-6-11(17-10)15-7-14-8-3-1-2-4-9(8)15/h1-7H,(H2,13,16)
InChIKeyWMBFKYAPXWIPDB-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.19
Rot. Bonds2

About 5-(benzimidazol-1-yl)thiophene-2-carboxamide

5-(benzimidazol-1-yl)thiophene-2-carboxamide (PubChem CID 58284917) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)thiophene-2-carboxamide
PubChem CID58284917
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name5-(benzimidazol-1-yl)thiophene-2-carboxamide
SMILESNC(=O)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C12H9N3OS/c13-12(16)10-5-6-11(17-10)15-7-14-8-3-1-2-4-9(8)15/h1-7H,(H2,13,16)
InChIKeyWMBFKYAPXWIPDB-UHFFFAOYSA-N
XLogP2.19
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)thiophene-2-carboxamide (CID 58284917) is 5-(benzimidazol-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)thiophene-2-carboxamide is NC(=O)c1ccc(-n2cnc3ccccc32)s1.
What is the InChIKey of 5-(benzimidazol-1-yl)thiophene-2-carboxamide?
The InChIKey is WMBFKYAPXWIPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c13-12(16)10-5-6-11(17-10)15-7-14-8-3-1-2-4-9(8)15/h1-7H,(H2,13,16).
What are the key properties of 5-(benzimidazol-1-yl)thiophene-2-carboxamide?
5-(benzimidazol-1-yl)thiophene-2-carboxamide has a molecular weight of 243.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 58284917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).