6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid

C19H14N2O2S — CID 58073917

IUPAC6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H14N2O2S/c1-11-9-14(19(22)23)17-15(10-11)20-18(21-17)13-6-4-12(5-7-13)16-3-2-8-24-16/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyFJYQCPBMNHWHQB-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.97
Rot. Bonds3

About 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid

6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 58073917) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID58073917
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
SMILESCc1cc(C(=O)O)c2nc(-c3ccc(-c4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C19H14N2O2S/c1-11-9-14(19(22)23)17-15(10-11)20-18(21-17)13-6-4-12(5-7-13)16-3-2-8-24-16/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyFJYQCPBMNHWHQB-UHFFFAOYSA-N
XLogP4.97
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid (CID 58073917) is 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid is Cc1cc(C(=O)O)c2nc(-c3ccc(-c4cccs4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FJYQCPBMNHWHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-11-9-14(19(22)23)17-15(10-11)20-18(21-17)13-6-4-12(5-7-13)16-3-2-8-24-16/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid?
6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 334.40 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-thiophen-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 58073917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).