2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide

C14H10N4OS — CID 168523092

IUPAC2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
SMILESN#CCC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C14H10N4OS/c15-6-5-13(19)16-9-3-4-10-11(8-9)18-14(17-10)12-2-1-7-20-12/h1-4,7-8H,5H2,(H,16,19)(H,17,18)
InChIKeyNISYLWYIRIQVFD-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.14
Rot. Bonds3

About 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide

2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide (PubChem CID 168523092) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
PubChem CID168523092
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide
SMILESN#CCC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1
InChIInChI=1S/C14H10N4OS/c15-6-5-13(19)16-9-3-4-10-11(8-9)18-14(17-10)12-2-1-7-20-12/h1-4,7-8H,5H2,(H,16,19)(H,17,18)
InChIKeyNISYLWYIRIQVFD-UHFFFAOYSA-N
XLogP3.14
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide (CID 168523092) is 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide is N#CCC(=O)Nc1ccc2nc(-c3cccs3)[nH]c2c1.
What is the InChIKey of 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is NISYLWYIRIQVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c15-6-5-13(19)16-9-3-4-10-11(8-9)18-14(17-10)12-2-1-7-20-12/h1-4,7-8H,5H2,(H,16,19)(H,17,18).
What are the key properties of 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide?
2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 282.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 168523092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).