3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride

C10H7Cl3N2O2 — CID 45156733

IUPAC3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H6Cl2N2O2.ClH/c11-6-1-7(12)3-8(2-6)14-5-13-4-9(14)10(15)16;/h1-5H,(H,15,16);1H
InChIKeyLAFHRLFDARGPAQ-UHFFFAOYSA-N
MW293.54 g/mol
LogP3.30
Rot. Bonds2

About 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride

3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride (PubChem CID 45156733) has the molecular formula C10H7Cl3N2O2 and a molecular weight of 293.54 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride
PubChem CID45156733
Molecular FormulaC10H7Cl3N2O2
Molecular Weight293.54 g/mol
Exact Mass291.96
IUPAC Name3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H6Cl2N2O2.ClH/c11-6-1-7(12)3-8(2-6)14-5-13-4-9(14)10(15)16;/h1-5H,(H,15,16);1H
InChIKeyLAFHRLFDARGPAQ-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride (CID 45156733) is 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cncn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride?
The InChIKey is LAFHRLFDARGPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O2.ClH/c11-6-1-7(12)3-8(2-6)14-5-13-4-9(14)10(15)16;/h1-5H,(H,15,16);1H.
What are the key properties of 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride?
3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride has a molecular weight of 293.54 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)imidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45156733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).