2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride

C12H13ClN2O3 — CID 172811429

IUPAC2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
SMILESCOc1cc(-c2nccn2C)ccc1C(=O)O.Cl
InChIInChI=1S/C12H12N2O3.ClH/c1-14-6-5-13-11(14)8-3-4-9(12(15)16)10(7-8)17-2;/h3-7H,1-2H3,(H,15,16);1H
InChIKeySFNXASHGAXTLGZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP2.22
Rot. Bonds3

About 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride

2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride (PubChem CID 172811429) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride.

Molecular Properties

Compound Name2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
PubChem CID172811429
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride
SMILESCOc1cc(-c2nccn2C)ccc1C(=O)O.Cl
InChIInChI=1S/C12H12N2O3.ClH/c1-14-6-5-13-11(14)8-3-4-9(12(15)16)10(7-8)17-2;/h3-7H,1-2H3,(H,15,16);1H
InChIKeySFNXASHGAXTLGZ-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-(1-methylimidazol-2-yl)benzoic acid
CID 136886155
2-(3-chloro-4-methoxyphenyl)-1-methylimidazole
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4-(1-methylimidazol-2-yl)benzoic acid
CID 23009409
N-[4-(1-methylimidazol-2-yl)-2-(3,4,5-trimethoxybenzoyl)phenyl]acetamide
CID 25067024
5-(1-methylimidazol-2-yl)benzene-1,3-dicarboxylic acid
CID 68746117
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1-[2-methoxy-5-(1-methylimidazol-2-yl)phenyl]-N-methylmethanamine
CID 63976635
2-(4-ethoxy-3,5-dimethoxyphenyl)-1-methylimidazole
CID 110539968
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
4-(3,5-difluorophenyl)-2-methoxybenzoic acid
CID 53225906
4-(furan-2-yl)-2-methoxybenzoic acid
CID 53224787

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride?
The IUPAC name of 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride (CID 172811429) is 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride.
What is the SMILES notation for 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride?
The canonical SMILES for 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride is COc1cc(-c2nccn2C)ccc1C(=O)O.Cl.
What is the InChIKey of 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride?
The InChIKey is SFNXASHGAXTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3.ClH/c1-14-6-5-13-11(14)8-3-4-9(12(15)16)10(7-8)17-2;/h3-7H,1-2H3,(H,15,16);1H.
What are the key properties of 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride?
2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride has a molecular weight of 268.70 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylimidazol-2-yl)benzoic acid;hydrochloride is sourced from PubChem (CID 172811429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).