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

C11H9FN2O3 — CID 117190509

IUPAC2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C11H9FN2O3/c1-14-9(10(15)16)6-13-11(14)17-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,15,16)
InChIKeyZRGCTMRLJQZYJO-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.05
Rot. Bonds3

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

2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid (PubChem CID 117190509) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
PubChem CID117190509
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid
SMILESCn1c(C(=O)O)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C11H9FN2O3/c1-14-9(10(15)16)6-13-11(14)17-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,15,16)
InChIKeyZRGCTMRLJQZYJO-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenoxy)-3-methylimidazole-4-carboxylic acid
CID 82390131
2-(4-bromophenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190511
2-(2-hydroxyphenoxy)-3-methylimidazole-4-carboxylic acid
CID 117190460
3-methyl-2-propan-2-yloxyimidazole-4-carboxylic acid
CID 117190537
4-(4-fluorophenoxy)-3,5-dimethoxybenzoic acid
CID 170440928
4-(4-fluorophenoxy)-3-methoxybenzoic acid
CID 170440931
5-chloro-6-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784100
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
4-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 81229679
2-ethyl-3-methylimidazole-4-carboxylic acid
CID 82375320
1-ethyl-3-(4-fluorophenoxy)carbonylpyrazole-5-carboxylic acid
CID 117215565
5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
CID 117260362

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid (CID 117190509) is 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid is Cn1c(C(=O)O)cnc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid?
The InChIKey is ZRGCTMRLJQZYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c1-14-9(10(15)16)6-13-11(14)17-8-4-2-7(12)3-5-8/h2-6H,1H3,(H,15,16).
What are the key properties of 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid?
2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid has a molecular weight of 236.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-3-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 117190509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).