2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid

C15H10N6O2 — CID 46986443

IUPAC2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1
InChIInChI=1S/C15H10N6O2/c22-15(23)11-4-2-1-3-10(11)14-17-12-6-5-9(7-13(12)18-14)21-8-16-19-20-21/h1-8H,(H,17,18)(H,22,23)
InChIKeyNHAFTDQKXHZMLJ-UHFFFAOYSA-N
MW306.29 g/mol
LogP1.90
Rot. Bonds3

About 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid

2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid (PubChem CID 46986443) has the molecular formula C15H10N6O2 and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid
PubChem CID46986443
Molecular FormulaC15H10N6O2
Molecular Weight306.29 g/mol
Exact Mass306.09
IUPAC Name2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1
InChIInChI=1S/C15H10N6O2/c22-15(23)11-4-2-1-3-10(11)14-17-12-6-5-9(7-13(12)18-14)21-8-16-19-20-21/h1-8H,(H,17,18)(H,22,23)
InChIKeyNHAFTDQKXHZMLJ-UHFFFAOYSA-N
XLogP1.90
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-nitro-1H-benzimidazol-2-yl)benzoic acid
CID 767026
2-(6-chloro-1,3-benzodioxol-5-yl)-6-(tetrazol-1-yl)-1H-benzimidazole
CID 46993165
2-(1H-benzimidazol-2-yl)terephthalic acid
CID 6395633
2-hydroxy-5-(tetrazol-1-yl)benzoic acid
CID 3136529
2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
2-(6-amino-1H-benzimidazol-2-yl)benzoate
CID 4247515
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
2-(3-carboxy-2,5-dihydroxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 156760820
2-pentan-3-yl-6-(tetrazol-1-yl)-1H-benzimidazole
CID 56861618
2-(2-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 67112516
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746

Frequently Asked Questions

What is the IUPAC name of 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid?
The IUPAC name of 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid (CID 46986443) is 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid?
The canonical SMILES for 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid is O=C(O)c1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1.
What is the InChIKey of 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid?
The InChIKey is NHAFTDQKXHZMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O2/c22-15(23)11-4-2-1-3-10(11)14-17-12-6-5-9(7-13(12)18-14)21-8-16-19-20-21/h1-8H,(H,17,18)(H,22,23).
What are the key properties of 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid?
2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid has a molecular weight of 306.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(tetrazol-1-yl)-1H-benzimidazol-2-yl]benzoic acid is sourced from PubChem (CID 46986443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).