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

C9H14Cl2N2 — CID 68510275

IUPAC2,4-dichloro-5-hexyl-1H-imidazole
SMILESCCCCCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C9H14Cl2N2/c1-2-3-4-5-6-7-8(10)13-9(11)12-7/h2-6H2,1H3,(H,12,13)
InChIKeyPYUBEJZVICFBCB-UHFFFAOYSA-N
MW221.13 g/mol
LogP3.84
Rot. Bonds5

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

2,4-dichloro-5-hexyl-1H-imidazole (PubChem CID 68510275) has the molecular formula C9H14Cl2N2 and a molecular weight of 221.13 g/mol. Its IUPAC name is 2,4-dichloro-5-hexyl-1H-imidazole.

Molecular Properties

Compound Name2,4-dichloro-5-hexyl-1H-imidazole
PubChem CID68510275
Molecular FormulaC9H14Cl2N2
Molecular Weight221.13 g/mol
Exact Mass220.05
IUPAC Name2,4-dichloro-5-hexyl-1H-imidazole
SMILESCCCCCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C9H14Cl2N2/c1-2-3-4-5-6-7-8(10)13-9(11)12-7/h2-6H2,1H3,(H,12,13)
InChIKeyPYUBEJZVICFBCB-UHFFFAOYSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-hexyl-1H-imidazole?
The IUPAC name of 2,4-dichloro-5-hexyl-1H-imidazole (CID 68510275) is 2,4-dichloro-5-hexyl-1H-imidazole.
What is the SMILES notation for 2,4-dichloro-5-hexyl-1H-imidazole?
The canonical SMILES for 2,4-dichloro-5-hexyl-1H-imidazole is CCCCCCc1[nH]c(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-hexyl-1H-imidazole?
The InChIKey is PYUBEJZVICFBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2/c1-2-3-4-5-6-7-8(10)13-9(11)12-7/h2-6H2,1H3,(H,12,13).
What are the key properties of 2,4-dichloro-5-hexyl-1H-imidazole?
2,4-dichloro-5-hexyl-1H-imidazole has a molecular weight of 221.13 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-hexyl-1H-imidazole is sourced from PubChem (CID 68510275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).