2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid

C13H14N2O5 — CID 62252679

IUPAC2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cc(OC)c(-c2ncc(C(=O)O)[nH]2)c(OC)c1
InChIInChI=1S/C13H14N2O5/c1-18-7-4-9(19-2)11(10(5-7)20-3)12-14-6-8(15-12)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyLIVXERZXXVENNU-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.80
Rot. Bonds5

About 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid

2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 62252679) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID62252679
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cc(OC)c(-c2ncc(C(=O)O)[nH]2)c(OC)c1
InChIInChI=1S/C13H14N2O5/c1-18-7-4-9(19-2)11(10(5-7)20-3)12-14-6-8(15-12)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17)
InChIKeyLIVXERZXXVENNU-UHFFFAOYSA-N
XLogP1.80
TPSA93.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[7-(hydroxyamino)-7-oxoheptyl]-1H-imidazole-5-carboxamide
CID 163217043
(2,4-dimethoxyphenyl)-(5-phenyl-1H-imidazol-2-yl)methanol
CID 49792410
Methyl 2-[4-(3-tert. butylamino-2-hydroxypropoxy)phenyl]imidazole-4-carboxylate
CID 12521607
4-(2,6-Dimethoxyphenyl)-2-methyl-1H-imidazole
CID 28356938
(2S)-3-(1H-imidazol-5-yl)-2-[(2,4,6-trimethoxyphenyl)methylamino]propanoic acid
CID 134154746
2-(((4-(Benzyloxy)benzyl)(4-fluorobenzyl)amino)methyl)-1H-imidazole-5-carboxylic acid
CID 68027884
3-[(3,4,5-Trimethoxyphenyl)methyl]imidazole-4-carboxylic acid;hydrochloride
CID 44597630
(2S)-2-[[2-(2,6-dimethoxyphenyl)-1-(4-methylphenyl)imidazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 49837922
N-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-[2-(methylamino)-2-oxoethyl]-2-(pyrrolidine-1-carbonyl)-1H-imidazole-5-carboxamide
CID 162643931
2-(4-Methoxyphenyl)-1H-imidazole-5-carbaldehyde
CID 10703273
3-[2-methoxy-6-(2-methoxy-4-trifluoromethoxy-phenyl)-5-methyl-pyridin-3-yl]-3H-imidazole-4-carboxylic acid
CID 22490071
methyl 2-(4-benzyloxy-2-fluorophenyl)-1H-imidazole-4-carboxylate
CID 23136618

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 62252679) is 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid is COc1cc(OC)c(-c2ncc(C(=O)O)[nH]2)c(OC)c1.
What is the InChIKey of 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is LIVXERZXXVENNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-18-7-4-9(19-2)11(10(5-7)20-3)12-14-6-8(15-12)13(16)17/h4-6H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid?
2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 62252679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).