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

C12H12N2O3 — CID 82513098

IUPAC2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
SMILESCOc1ccc(-n2ccnc2C)cc1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-8-13-5-6-14(8)9-3-4-11(17-2)10(7-9)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeySJPHLPBBFFDDSH-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.89
Rot. Bonds3

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

2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid (PubChem CID 82513098) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
PubChem CID82513098
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid
SMILESCOc1ccc(-n2ccnc2C)cc1C(=O)O
InChIInChI=1S/C12H12N2O3/c1-8-13-5-6-14(8)9-3-4-11(17-2)10(7-9)12(15)16/h3-7H,1-2H3,(H,15,16)
InChIKeySJPHLPBBFFDDSH-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2-methylimidazol-1-yl)benzoic acid
CID 84681738
5-methoxy-2-(2-methylimidazol-1-yl)benzoic acid
CID 84695425
1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
CID 11424789
5-(3,5-dimethylpyrazol-1-yl)-2-methoxybenzoic acid
CID 82513661
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43905420
2-methoxy-5-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)imidazol-2-yl]benzoic acid
CID 138377869
5-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-2-methoxybenzoic acid
CID 40789040
2-methoxy-5-(3-methylsulfanyl-1,2,4-triazol-4-yl)benzoic acid
CID 18464702
2-methoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92673076
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid?
The IUPAC name of 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid (CID 82513098) is 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid is COc1ccc(-n2ccnc2C)cc1C(=O)O.
What is the InChIKey of 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid?
The InChIKey is SJPHLPBBFFDDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-13-5-6-14(8)9-3-4-11(17-2)10(7-9)12(15)16/h3-7H,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid?
2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylimidazol-1-yl)benzoic acid is sourced from PubChem (CID 82513098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).