2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid

C12H11ClN2O3 — CID 117187383

IUPAC2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1COc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3/c1-15-6-10(12(16)17)14-11(15)7-18-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyIARNXVYPJIYBNO-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.35
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid

2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid (PubChem CID 117187383) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
PubChem CID117187383
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)nc1COc1ccc(Cl)cc1
InChIInChI=1S/C12H11ClN2O3/c1-15-6-10(12(16)17)14-11(15)7-18-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,16,17)
InChIKeyIARNXVYPJIYBNO-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenoxy)methyl]-1-ethylimidazole-4-carboxylic acid
CID 117187768
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272
1-methyl-2-[(3-methylphenoxy)methyl]imidazole-4-carboxylic acid
CID 117187325
2-[(2-hydroxyphenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187276
6-[(4-chlorophenoxy)methyl]pyridine-2-carboxylic acid
CID 106903207
5-[(4-chlorophenoxy)methyl]-1-methyltriazole-4-carboxylic acid
CID 82207581
2-[[4-(4-chlorophenyl)phenoxy]methyl]-1,3-thiazole-4-carboxylic acid
CID 11427951
3-[(4-chlorophenoxy)methyl]-8-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255676
2-(ethylsulfonylmethyl)-1-methylimidazole-4-carboxylic acid
CID 117187211
3-[(4-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178702
1-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 2744804
2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 864075

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid (CID 117187383) is 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid is Cn1cc(C(=O)O)nc1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
The InChIKey is IARNXVYPJIYBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-15-6-10(12(16)17)14-11(15)7-18-9-4-2-8(13)3-5-9/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid?
2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117187383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).