2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid

C11H11N3O3 — CID 82475427

IUPAC2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1ccccc1-c1nc(N)[nH]c1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-17-7-5-3-2-4-6(7)8-9(10(15)16)14-11(12)13-8/h2-5H,1H3,(H,15,16)(H3,12,13,14)
InChIKeyRMAZQEJRSDBBLP-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid

2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82475427) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82475427
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1ccccc1-c1nc(N)[nH]c1C(=O)O
InChIInChI=1S/C11H11N3O3/c1-17-7-5-3-2-4-6(7)8-9(10(15)16)14-11(12)13-8/h2-5H,1H3,(H,15,16)(H3,12,13,14)
InChIKeyRMAZQEJRSDBBLP-UHFFFAOYSA-N
XLogP1.37
TPSA101.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-4-(2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 82082687
2-amino-5-bromo-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135480627
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475428
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
2-amino-4-(4-fluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82472728
5-(2-methoxyphenyl)-2-sulfanylidene-3H-1,3-thiazole-4-carboxylic acid
CID 53271857
4-(5-bromo-2-methoxyphenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82308864
2-methoxy-6-(2-methoxyphenyl)benzoic acid
CID 22380946
2-amino-6-(2-methoxyphenyl)pyrimidine-4-carboxylic acid
CID 28799604
5-(2-methoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 22507236
6-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 15764367

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 82475427) is 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid is COc1ccccc1-c1nc(N)[nH]c1C(=O)O.
What is the InChIKey of 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is RMAZQEJRSDBBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-7-5-3-2-4-6(7)8-9(10(15)16)14-11(12)13-8/h2-5H,1H3,(H,15,16)(H3,12,13,14).
What are the key properties of 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82475427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).