5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide

C13H11N3OS — CID 58284844

IUPAC5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C13H11N3OS/c1-14-13(17)11-6-7-12(18-11)16-8-15-9-4-2-3-5-10(9)16/h2-8H,1H3,(H,14,17)
InChIKeyYMEKYZRMQUUZIO-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.45
Rot. Bonds2

About 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide

5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide (PubChem CID 58284844) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide
PubChem CID58284844
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1ccc(-n2cnc3ccccc32)s1
InChIInChI=1S/C13H11N3OS/c1-14-13(17)11-6-7-12(18-11)16-8-15-9-4-2-3-5-10(9)16/h2-8H,1H3,(H,14,17)
InChIKeyYMEKYZRMQUUZIO-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.45
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)-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide (CID 58284844) is 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide is CNC(=O)c1ccc(-n2cnc3ccccc32)s1.
What is the InChIKey of 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide?
The InChIKey is YMEKYZRMQUUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-14-13(17)11-6-7-12(18-11)16-8-15-9-4-2-3-5-10(9)16/h2-8H,1H3,(H,14,17).
What are the key properties of 5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide?
5-(benzimidazol-1-yl)-N-methylthiophene-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.45, 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)-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 58284844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).