1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid

C17H16N2O2 — CID 5048736

IUPAC1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1cc(C)cc(-n2c(C)nc3cc(C(=O)O)ccc32)c1
InChIInChI=1S/C17H16N2O2/c1-10-6-11(2)8-14(7-10)19-12(3)18-15-9-13(17(20)21)4-5-16(15)19/h4-9H,1-3H3,(H,20,21)
InChIKeyQYJNXRAUZIPPLV-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.65
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid

1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid (PubChem CID 5048736) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
PubChem CID5048736
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid
SMILESCc1cc(C)cc(-n2c(C)nc3cc(C(=O)O)ccc32)c1
InChIInChI=1S/C17H16N2O2/c1-10-6-11(2)8-14(7-10)19-12(3)18-15-9-13(17(20)21)4-5-16(15)19/h4-9H,1-3H3,(H,20,21)
InChIKeyQYJNXRAUZIPPLV-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid (CID 5048736) is 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid is Cc1cc(C)cc(-n2c(C)nc3cc(C(=O)O)ccc32)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
The InChIKey is QYJNXRAUZIPPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-10-6-11(2)8-14(7-10)19-12(3)18-15-9-13(17(20)21)4-5-16(15)19/h4-9H,1-3H3,(H,20,21).
What are the key properties of 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid?
1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid has a molecular weight of 280.33 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 5048736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).