3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid

C11H8Cl2N2O2 — CID 21284130

IUPAC3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1cc(Cl)cc(Cl)c1-n1cncc1C(=O)O
InChIInChI=1S/C11H8Cl2N2O2/c1-6-2-7(12)3-8(13)10(6)15-5-14-4-9(15)11(16)17/h2-5H,1H3,(H,16,17)
InChIKeyZTXLQLYHNSIIPH-UHFFFAOYSA-N
MW271.10 g/mol
LogP3.19
Rot. Bonds2

About 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid

3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid (PubChem CID 21284130) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid
PubChem CID21284130
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid
SMILESCc1cc(Cl)cc(Cl)c1-n1cncc1C(=O)O
InChIInChI=1S/C11H8Cl2N2O2/c1-6-2-7(12)3-8(13)10(6)15-5-14-4-9(15)11(16)17/h2-5H,1H3,(H,16,17)
InChIKeyZTXLQLYHNSIIPH-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid?
The IUPAC name of 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid (CID 21284130) is 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid?
The canonical SMILES for 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid is Cc1cc(Cl)cc(Cl)c1-n1cncc1C(=O)O.
What is the InChIKey of 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid?
The InChIKey is ZTXLQLYHNSIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-6-2-7(12)3-8(13)10(6)15-5-14-4-9(15)11(16)17/h2-5H,1H3,(H,16,17).
What are the key properties of 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid?
3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid has a molecular weight of 271.10 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-methylphenyl)imidazole-4-carboxylic acid is sourced from PubChem (CID 21284130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).