2,4-dichloro-5-ethyl-1H-imidazole

C5H6Cl2N2 — CID 23471324

IUPAC2,4-dichloro-5-ethyl-1H-imidazole
SMILESCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C5H6Cl2N2/c1-2-3-4(6)9-5(7)8-3/h2H2,1H3,(H,8,9)
InChIKeyPJGPQOXWPYYELJ-UHFFFAOYSA-N
MW165.02 g/mol
LogP2.28
Rot. Bonds1

About 2,4-dichloro-5-ethyl-1H-imidazole

2,4-dichloro-5-ethyl-1H-imidazole (PubChem CID 23471324) has the molecular formula C5H6Cl2N2 and a molecular weight of 165.02 g/mol. Its IUPAC name is 2,4-dichloro-5-ethyl-1H-imidazole.

Molecular Properties

Compound Name2,4-dichloro-5-ethyl-1H-imidazole
PubChem CID23471324
Molecular FormulaC5H6Cl2N2
Molecular Weight165.02 g/mol
Exact Mass163.99
IUPAC Name2,4-dichloro-5-ethyl-1H-imidazole
SMILESCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C5H6Cl2N2/c1-2-3-4(6)9-5(7)8-3/h2H2,1H3,(H,8,9)
InChIKeyPJGPQOXWPYYELJ-UHFFFAOYSA-N
XLogP2.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.02
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-ethyl-1H-imidazole?
The IUPAC name of 2,4-dichloro-5-ethyl-1H-imidazole (CID 23471324) is 2,4-dichloro-5-ethyl-1H-imidazole.
What is the SMILES notation for 2,4-dichloro-5-ethyl-1H-imidazole?
The canonical SMILES for 2,4-dichloro-5-ethyl-1H-imidazole is CCc1[nH]c(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-ethyl-1H-imidazole?
The InChIKey is PJGPQOXWPYYELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Cl2N2/c1-2-3-4(6)9-5(7)8-3/h2H2,1H3,(H,8,9).
What are the key properties of 2,4-dichloro-5-ethyl-1H-imidazole?
2,4-dichloro-5-ethyl-1H-imidazole has a molecular weight of 165.02 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-ethyl-1H-imidazole is sourced from PubChem (CID 23471324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).