2-methyl-5-(2-methylimidazol-1-yl)benzoic acid

C12H12N2O2 — CID 84681738

IUPAC2-methyl-5-(2-methylimidazol-1-yl)benzoic acid
SMILESCc1ccc(-n2ccnc2C)cc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(7-11(8)12(15)16)14-6-5-13-9(14)2/h3-7H,1-2H3,(H,15,16)
InChIKeyRVEQRGWCYUUSGD-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.19
Rot. Bonds2

About 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid

2-methyl-5-(2-methylimidazol-1-yl)benzoic acid (PubChem CID 84681738) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-methylimidazol-1-yl)benzoic acid
PubChem CID84681738
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-methyl-5-(2-methylimidazol-1-yl)benzoic acid
SMILESCc1ccc(-n2ccnc2C)cc1C(=O)O
InChIInChI=1S/C12H12N2O2/c1-8-3-4-10(7-11(8)12(15)16)14-6-5-13-9(14)2/h3-7H,1-2H3,(H,15,16)
InChIKeyRVEQRGWCYUUSGD-UHFFFAOYSA-N
XLogP2.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid?
The IUPAC name of 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid (CID 84681738) is 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid?
The canonical SMILES for 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid is Cc1ccc(-n2ccnc2C)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid?
The InChIKey is RVEQRGWCYUUSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-3-4-10(7-11(8)12(15)16)14-6-5-13-9(14)2/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid?
2-methyl-5-(2-methylimidazol-1-yl)benzoic acid has a molecular weight of 216.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylimidazol-1-yl)benzoic acid is sourced from PubChem (CID 84681738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).