2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid

C11H11N3O3 — CID 82390131

IUPAC2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1Oc1ccc(N)cc1
InChIInChI=1S/C11H11N3O3/c1-14-9(10(15)16)6-13-11(14)17-8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H,15,16)
InChIKeyHCXMHZWBRCNJNC-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.49
Rot. Bonds3

About 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid

2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid (PubChem CID 82390131) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
PubChem CID82390131
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1Oc1ccc(N)cc1
InChIInChI=1S/C11H11N3O3/c1-14-9(10(15)16)6-13-11(14)17-8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H,15,16)
InChIKeyHCXMHZWBRCNJNC-UHFFFAOYSA-N
XLogP1.49
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190509
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190460
3-methyl-2-(3-methylphenoxy)imidazole-4-carboxylic acid
CID 117190482
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537
4-(5-amino-1-methylimidazol-2-yl)oxyphenol
CID 117190503
2-[(4-methoxyphenoxy)methyl]-3-methylimidazole-4-carboxylic acid
CID 117188427
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489
4-[3,5-bis(4-aminophenoxy)phenoxy]-2-methoxycarbonylbenzoic acid
CID 101018692
2-(1-ethoxyethenyl)-3-methylimidazole-4-carboxylic acid
CID 165468347
2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
ethyl 1-[2-(4-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81498880

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid (CID 82390131) is 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid is Cn1c(C(=O)O)cnc1Oc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid?
The InChIKey is HCXMHZWBRCNJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-14-9(10(15)16)6-13-11(14)17-8-4-2-7(12)3-5-8/h2-6H,12H2,1H3,(H,15,16).
What are the key properties of 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid?
2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 82390131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).