2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid

C12H11FN2O2 — CID 82290525

IUPAC2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7-14-10(6-11(16)17)12(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyWFHXGUCRUJZPEQ-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.15
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid

2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid (PubChem CID 82290525) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
PubChem CID82290525
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
SMILESCc1nc(-c2ccc(F)cc2)c(CC(=O)O)[nH]1
InChIInChI=1S/C12H11FN2O2/c1-7-14-10(6-11(16)17)12(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyWFHXGUCRUJZPEQ-UHFFFAOYSA-N
XLogP2.15
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid (CID 82290525) is 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid is Cc1nc(-c2ccc(F)cc2)c(CC(=O)O)[nH]1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
The InChIKey is WFHXGUCRUJZPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-7-14-10(6-11(16)17)12(15-7)8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid?
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid has a molecular weight of 234.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid is sourced from PubChem (CID 82290525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).