7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid

C13H10N2O3S — CID 58381346

IUPAC7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C13H10N2O3S/c1-18-9-6-7(13(16)17)5-8-11(9)15-12(14-8)10-3-2-4-19-10/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyNTTTURJGCKSVGE-UHFFFAOYSA-N
MW274.30 g/mol
LogP3.00
Rot. Bonds3

About 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid

7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid (PubChem CID 58381346) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid
PubChem CID58381346
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Name7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C13H10N2O3S/c1-18-9-6-7(13(16)17)5-8-11(9)15-12(14-8)10-3-2-4-19-10/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyNTTTURJGCKSVGE-UHFFFAOYSA-N
XLogP3.00
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid (CID 58381346) is 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid is COc1cc(C(=O)O)cc2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid?
The InChIKey is NTTTURJGCKSVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c1-18-9-6-7(13(16)17)5-8-11(9)15-12(14-8)10-3-2-4-19-10/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid?
7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid has a molecular weight of 274.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 58381346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).