5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid

C11H10N6O2 — CID 19759717

IUPAC5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid
SMILESCc1ccc2[nH]c(C(=O)O)nc2c1Cc1nn[nH]n1
InChIInChI=1S/C11H10N6O2/c1-5-2-3-7-9(13-10(12-7)11(18)19)6(5)4-8-14-16-17-15-8/h2-3H,4H2,1H3,(H,12,13)(H,18,19)(H,14,15,16,17)
InChIKeyAJJZSGHWNOMFIW-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.67
Rot. Bonds3

About 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid

5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid (PubChem CID 19759717) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid
PubChem CID19759717
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Name5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid
SMILESCc1ccc2[nH]c(C(=O)O)nc2c1Cc1nn[nH]n1
InChIInChI=1S/C11H10N6O2/c1-5-2-3-7-9(13-10(12-7)11(18)19)6(5)4-8-14-16-17-15-8/h2-3H,4H2,1H3,(H,12,13)(H,18,19)(H,14,15,16,17)
InChIKeyAJJZSGHWNOMFIW-UHFFFAOYSA-N
XLogP0.67
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid (CID 19759717) is 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid is Cc1ccc2[nH]c(C(=O)O)nc2c1Cc1nn[nH]n1.
What is the InChIKey of 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid?
The InChIKey is AJJZSGHWNOMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-5-2-3-7-9(13-10(12-7)11(18)19)6(5)4-8-14-16-17-15-8/h2-3H,4H2,1H3,(H,12,13)(H,18,19)(H,14,15,16,17).
What are the key properties of 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid?
5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole-2-carboxylic acid is sourced from PubChem (CID 19759717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).