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

C6H8Cl2N2 — CID 68513666

IUPAC2,4-dichloro-5-propyl-1H-imidazole
SMILESCCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C6H8Cl2N2/c1-2-3-4-5(7)10-6(8)9-4/h2-3H2,1H3,(H,9,10)
InChIKeyWUXSYBAHAYBQSK-UHFFFAOYSA-N
MW179.05 g/mol
LogP2.67
Rot. Bonds2

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

2,4-dichloro-5-propyl-1H-imidazole (PubChem CID 68513666) has the molecular formula C6H8Cl2N2 and a molecular weight of 179.05 g/mol. Its IUPAC name is 2,4-dichloro-5-propyl-1H-imidazole.

Molecular Properties

Compound Name2,4-dichloro-5-propyl-1H-imidazole
PubChem CID68513666
Molecular FormulaC6H8Cl2N2
Molecular Weight179.05 g/mol
Exact Mass178.01
IUPAC Name2,4-dichloro-5-propyl-1H-imidazole
SMILESCCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C6H8Cl2N2/c1-2-3-4-5(7)10-6(8)9-4/h2-3H2,1H3,(H,9,10)
InChIKeyWUXSYBAHAYBQSK-UHFFFAOYSA-N
XLogP2.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.05
LogP ≤ 52.67
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-propyl-1H-imidazole?
The IUPAC name of 2,4-dichloro-5-propyl-1H-imidazole (CID 68513666) is 2,4-dichloro-5-propyl-1H-imidazole.
What is the SMILES notation for 2,4-dichloro-5-propyl-1H-imidazole?
The canonical SMILES for 2,4-dichloro-5-propyl-1H-imidazole is CCCc1[nH]c(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-propyl-1H-imidazole?
The InChIKey is WUXSYBAHAYBQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2N2/c1-2-3-4-5(7)10-6(8)9-4/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,4-dichloro-5-propyl-1H-imidazole?
2,4-dichloro-5-propyl-1H-imidazole has a molecular weight of 179.05 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-propyl-1H-imidazole is sourced from PubChem (CID 68513666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).