1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid

C10H6Cl2N2O2 — CID 151593948

IUPAC1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-2-1-3-7(12)9(6)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeyQJBPMVANJQICNW-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.88
Rot. Bonds2

About 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid

1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid (PubChem CID 151593948) has the molecular formula C10H6Cl2N2O2 and a molecular weight of 257.08 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid
PubChem CID151593948
Molecular FormulaC10H6Cl2N2O2
Molecular Weight257.08 g/mol
Exact Mass255.98
IUPAC Name1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2c(Cl)cccc2Cl)cn1
InChIInChI=1S/C10H6Cl2N2O2/c11-6-2-1-3-7(12)9(6)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16)
InChIKeyQJBPMVANJQICNW-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid?
The IUPAC name of 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid (CID 151593948) is 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid is O=C(O)c1cn(-c2c(Cl)cccc2Cl)cn1.
What is the InChIKey of 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid?
The InChIKey is QJBPMVANJQICNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2/c11-6-2-1-3-7(12)9(6)14-4-8(10(15)16)13-5-14/h1-5H,(H,15,16).
What are the key properties of 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid?
1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 151593948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).