4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid

C11H11FN2O2 — CID 122634379

IUPAC4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCC1=NC(c2ccc(F)cc2)C(C(=O)O)N1
InChIInChI=1S/C11H11FN2O2/c1-6-13-9(10(14-6)11(15)16)7-2-4-8(12)5-3-7/h2-5,9-10H,1H3,(H,13,14)(H,15,16)
InChIKeyKUQGYSHBEIVEOL-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.34
Rot. Bonds2

About 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid

4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid (PubChem CID 122634379) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
PubChem CID122634379
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid
SMILESCC1=NC(c2ccc(F)cc2)C(C(=O)O)N1
InChIInChI=1S/C11H11FN2O2/c1-6-13-9(10(14-6)11(15)16)7-2-4-8(12)5-3-7/h2-5,9-10H,1H3,(H,13,14)(H,15,16)
InChIKeyKUQGYSHBEIVEOL-UHFFFAOYSA-N
XLogP1.34
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid (CID 122634379) is 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid is CC1=NC(c2ccc(F)cc2)C(C(=O)O)N1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
The InChIKey is KUQGYSHBEIVEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-6-13-9(10(14-6)11(15)16)7-2-4-8(12)5-3-7/h2-5,9-10H,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid?
4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid has a molecular weight of 222.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methyl-4,5-dihydro-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 122634379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).