1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid

C13H14N2O3 — CID 117187325

IUPAC1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
SMILESCc1cccc(OCc2nc(C(=O)O)cn2C)c1
InChIInChI=1S/C13H14N2O3/c1-9-4-3-5-10(6-9)18-8-12-14-11(13(16)17)7-15(12)2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyONHQNXHHTSNBNO-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.01
Rot. Bonds4

About 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid

1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid (PubChem CID 117187325) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
PubChem CID117187325
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
SMILESCc1cccc(OCc2nc(C(=O)O)cn2C)c1
InChIInChI=1S/C13H14N2O3/c1-9-4-3-5-10(6-9)18-8-12-14-11(13(16)17)7-15(12)2/h3-7H,8H2,1-2H3,(H,16,17)
InChIKeyONHQNXHHTSNBNO-UHFFFAOYSA-N
XLogP2.01
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-methyl-2-[(3-methylphenoxy)methyl]imidazol-4-yl]methanamine
CID 82289274
2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187383
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276
6-chloro-2-[(3-methylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82168817
8-methyl-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255669
1-methyl-5-[(3-methylphenoxy)methyl]pyrazole-4-carboxylic acid
CID 116629519
1-methyl-3-[(3-methylphenoxy)methyl]indole-4-carboxylic acid
CID 117171568
7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
2-[(3-bromophenoxy)methyl]-1,4-dimethylimidazole
CID 117187302
[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 24712422
1-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 82295832
2-[3-(3-methylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054904

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid (CID 117187325) is 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid is Cc1cccc(OCc2nc(C(=O)O)cn2C)c1.
What is the InChIKey of 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid?
The InChIKey is ONHQNXHHTSNBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9-4-3-5-10(6-9)18-8-12-14-11(13(16)17)7-15(12)2/h3-7H,8H2,1-2H3,(H,16,17).
What are the key properties of 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid?
1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 117187325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).