2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid

C11H11N3O3 — CID 82475428

IUPAC2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cccc(-c2nc(N)[nH]c2C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)8-9(10(15)16)14-11(12)13-8/h2-5H,1H3,(H,15,16)(H3,12,13,14)
InChIKeyDTIBKIFORGQFOQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid

2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid (PubChem CID 82475428) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
PubChem CID82475428
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid
SMILESCOc1cccc(-c2nc(N)[nH]c2C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)8-9(10(15)16)14-11(12)13-8/h2-5H,1H3,(H,15,16)(H3,12,13,14)
InChIKeyDTIBKIFORGQFOQ-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-5,6-bis(3-methoxyphenyl)-1H-pyrazin-2-one
CID 132588517
6-amino-3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 53229205
4-amino-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxylic acid
CID 13073206
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
4-(3-methoxyphenyl)thiadiazole-5-carboxylic acid
CID 66489722
4-amino-2-(3-methoxyphenyl)benzoic acid
CID 82293595
4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82129354
2-acetamido-4-(3-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 82226564
3,5-bis(3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 22554992
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
ethyl 2-amino-5-(3-methoxyphenyl)-4-oxo-3H-pyrido[2,3-d]pyrimidine-7-carboxylate
CID 137290035
2-[2-fluoro-4-(3-methoxyphenyl)phenyl]-7-hydroxy-5-methoxy-3H-cyclopenta[d]pyrimidine-4-carboxylic acid
CID 91600309

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid (CID 82475428) is 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid is COc1cccc(-c2nc(N)[nH]c2C(=O)O)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
The InChIKey is DTIBKIFORGQFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-7-4-2-3-6(5-7)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-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid?
2-amino-4-(3-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-(3-methoxyphenyl)-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 82475428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).