4-(1-methylimidazol-2-yl)benzoic acid

C11H10N2O2 — CID 23009409

IUPAC4-(1-methylimidazol-2-yl)benzoic acid
SMILESCn1ccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10N2O2/c1-13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyRZCAYGJPJOLSMT-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.79
Rot. Bonds2

About 4-(1-methylimidazol-2-yl)benzoic acid

4-(1-methylimidazol-2-yl)benzoic acid (PubChem CID 23009409) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)benzoic acid
PubChem CID23009409
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(1-methylimidazol-2-yl)benzoic acid
SMILESCn1ccnc1-c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10N2O2/c1-13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyRZCAYGJPJOLSMT-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
4-(1-methylsulfonylimidazol-2-yl)benzoic acid
CID 110539899
2-[4-(1-methylimidazol-2-yl)phenyl]propanoic acid
CID 117332408
2-hydroxy-2-[4-(1-methylimidazol-2-yl)phenyl]acetic acid
CID 117335940
2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
3-chloro-5-(1-methylimidazol-2-yl)benzoic acid
CID 107957248
ethane;1-methyl-2-phenylimidazole
CID 142155183
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
[4-(1-methylimidazol-2-yl)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 150901036
5-(1-methylimidazol-2-yl)furan-3-carboxylic acid
CID 130653758

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)benzoic acid?
The IUPAC name of 4-(1-methylimidazol-2-yl)benzoic acid (CID 23009409) is 4-(1-methylimidazol-2-yl)benzoic acid.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)benzoic acid?
The canonical SMILES for 4-(1-methylimidazol-2-yl)benzoic acid is Cn1ccnc1-c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)benzoic acid?
The InChIKey is RZCAYGJPJOLSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-7-6-12-10(13)8-2-4-9(5-3-8)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 4-(1-methylimidazol-2-yl)benzoic acid?
4-(1-methylimidazol-2-yl)benzoic acid has a molecular weight of 202.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)benzoic acid is sourced from PubChem (CID 23009409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).