2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid

C13H10N2O2S — CID 63032984

IUPAC2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ccsc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C13H10N2O2S/c1-7-5-6-18-11(7)12-14-9-4-2-3-8(13(16)17)10(9)15-12/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyKXWUWRDDKILEEV-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.30
Rot. Bonds2

About 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid

2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 63032984) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
PubChem CID63032984
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1ccsc1-c1nc2c(C(=O)O)cccc2[nH]1
InChIInChI=1S/C13H10N2O2S/c1-7-5-6-18-11(7)12-14-9-4-2-3-8(13(16)17)10(9)15-12/h2-6H,1H3,(H,14,15)(H,16,17)
InChIKeyKXWUWRDDKILEEV-UHFFFAOYSA-N
XLogP3.30
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid (CID 63032984) is 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid is Cc1ccsc1-c1nc2c(C(=O)O)cccc2[nH]1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is KXWUWRDDKILEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-7-5-6-18-11(7)12-14-9-4-2-3-8(13(16)17)10(9)15-12/h2-6H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid?
2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 63032984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).