5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid

C10H5Cl2FN2O2 — CID 66835340

IUPAC5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)ncn1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H5Cl2FN2O2/c11-6-3-5(13)1-2-7(6)15-4-14-9(12)8(15)10(16)17/h1-4H,(H,16,17)
InChIKeyXGYWXBGOOBJFIW-UHFFFAOYSA-N
MW275.07 g/mol
LogP3.02
Rot. Bonds2

About 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid

5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid (PubChem CID 66835340) has the molecular formula C10H5Cl2FN2O2 and a molecular weight of 275.07 g/mol. Its IUPAC name is 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid
PubChem CID66835340
Molecular FormulaC10H5Cl2FN2O2
Molecular Weight275.07 g/mol
Exact Mass273.97
IUPAC Name5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1c(Cl)ncn1-c1ccc(F)cc1Cl
InChIInChI=1S/C10H5Cl2FN2O2/c11-6-3-5(13)1-2-7(6)15-4-14-9(12)8(15)10(16)17/h1-4H,(H,16,17)
InChIKeyXGYWXBGOOBJFIW-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid (CID 66835340) is 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid is O=C(O)c1c(Cl)ncn1-c1ccc(F)cc1Cl.
What is the InChIKey of 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid?
The InChIKey is XGYWXBGOOBJFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2O2/c11-6-3-5(13)1-2-7(6)15-4-14-9(12)8(15)10(16)17/h1-4H,(H,16,17).
What are the key properties of 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid?
5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid has a molecular weight of 275.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chloro-4-fluorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 66835340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).