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

C8H12Cl2N2 — CID 68515854

IUPAC2,4-dichloro-5-pentyl-1H-imidazole
SMILESCCCCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C8H12Cl2N2/c1-2-3-4-5-6-7(9)12-8(10)11-6/h2-5H2,1H3,(H,11,12)
InChIKeyFHWBTCGMHHMCFZ-UHFFFAOYSA-N
MW207.10 g/mol
LogP3.45
Rot. Bonds4

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

2,4-dichloro-5-pentyl-1H-imidazole (PubChem CID 68515854) has the molecular formula C8H12Cl2N2 and a molecular weight of 207.10 g/mol. Its IUPAC name is 2,4-dichloro-5-pentyl-1H-imidazole.

Molecular Properties

Compound Name2,4-dichloro-5-pentyl-1H-imidazole
PubChem CID68515854
Molecular FormulaC8H12Cl2N2
Molecular Weight207.10 g/mol
Exact Mass206.04
IUPAC Name2,4-dichloro-5-pentyl-1H-imidazole
SMILESCCCCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C8H12Cl2N2/c1-2-3-4-5-6-7(9)12-8(10)11-6/h2-5H2,1H3,(H,11,12)
InChIKeyFHWBTCGMHHMCFZ-UHFFFAOYSA-N
XLogP3.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-pentyl-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-pentyl-1H-imidazole?
The IUPAC name of 2,4-dichloro-5-pentyl-1H-imidazole (CID 68515854) is 2,4-dichloro-5-pentyl-1H-imidazole.
What is the SMILES notation for 2,4-dichloro-5-pentyl-1H-imidazole?
The canonical SMILES for 2,4-dichloro-5-pentyl-1H-imidazole is CCCCCc1[nH]c(Cl)nc1Cl.
What is the InChIKey of 2,4-dichloro-5-pentyl-1H-imidazole?
The InChIKey is FHWBTCGMHHMCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N2/c1-2-3-4-5-6-7(9)12-8(10)11-6/h2-5H2,1H3,(H,11,12).
What are the key properties of 2,4-dichloro-5-pentyl-1H-imidazole?
2,4-dichloro-5-pentyl-1H-imidazole has a molecular weight of 207.10 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-pentyl-1H-imidazole is sourced from PubChem (CID 68515854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).