3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid

C12H12N2O3 — CID 117190482

IUPAC3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
SMILESCc1cccc(Oc2ncc(C(=O)O)n2C)c1
InChIInChI=1S/C12H12N2O3/c1-8-4-3-5-9(6-8)17-12-13-7-10(11(15)16)14(12)2/h3-7H,1-2H3,(H,15,16)
InChIKeyKQXFQBCQNAKZBT-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.22
Rot. Bonds3

About 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid

3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid (PubChem CID 117190482) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
PubChem CID117190482
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
SMILESCc1cccc(Oc2ncc(C(=O)O)n2C)c1
InChIInChI=1S/C12H12N2O3/c1-8-4-3-5-9(6-8)17-12-13-7-10(11(15)16)14(12)2/h3-7H,1-2H3,(H,15,16)
InChIKeyKQXFQBCQNAKZBT-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190487
2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
CID 82390131
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190460
1-methyl-2-(3-methylphenoxy)imidazole
CID 117189440
5-methyl-2-[2-(3-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301521
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537
2-(3-chlorophenoxy)-N,3-dimethyl-N-pyridin-3-ylimidazole-4-carboxamide
CID 130330750
1-methyl-5-[(3-methylphenoxy)methyl]pyrazole-4-carboxylic acid
CID 116629519
3-(5-bromo-1-methylimidazol-2-yl)oxyphenol
CID 117190479
1-ethyl-5-[(3-methylphenoxy)methyl]imidazole-2-carboxylic acid
CID 117193234
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid?
The IUPAC name of 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid (CID 117190482) is 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid is Cc1cccc(Oc2ncc(C(=O)O)n2C)c1.
What is the InChIKey of 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid?
The InChIKey is KQXFQBCQNAKZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-4-3-5-9(6-8)17-12-13-7-10(11(15)16)14(12)2/h3-7H,1-2H3,(H,15,16).
What are the key properties of 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid?
3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid has a molecular weight of 232.24 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 3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid is sourced from PubChem (CID 117190482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).