4,5-dichloro-1-(3-fluorobutyl)imidazole

C7H9Cl2FN2 — CID 130739866

IUPAC4,5-dichloro-1-(3-fluorobutyl)imidazole
SMILESCC(F)CCn1cnc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2FN2/c1-5(10)2-3-12-4-11-6(8)7(12)9/h4-5H,2-3H2,1H3
InChIKeyQJONNRNJVZOIRR-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.94
Rot. Bonds3

About 4,5-dichloro-1-(3-fluorobutyl)imidazole

4,5-dichloro-1-(3-fluorobutyl)imidazole (PubChem CID 130739866) has the molecular formula C7H9Cl2FN2 and a molecular weight of 211.07 g/mol. Its IUPAC name is 4,5-dichloro-1-(3-fluorobutyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(3-fluorobutyl)imidazole
PubChem CID130739866
Molecular FormulaC7H9Cl2FN2
Molecular Weight211.07 g/mol
Exact Mass210.01
IUPAC Name4,5-dichloro-1-(3-fluorobutyl)imidazole
SMILESCC(F)CCn1cnc(Cl)c1Cl
InChIInChI=1S/C7H9Cl2FN2/c1-5(10)2-3-12-4-11-6(8)7(12)9/h4-5H,2-3H2,1H3
InChIKeyQJONNRNJVZOIRR-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(3-fluorobutyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(3-fluorobutyl)imidazole (CID 130739866) is 4,5-dichloro-1-(3-fluorobutyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(3-fluorobutyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(3-fluorobutyl)imidazole is CC(F)CCn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(3-fluorobutyl)imidazole?
The InChIKey is QJONNRNJVZOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2FN2/c1-5(10)2-3-12-4-11-6(8)7(12)9/h4-5H,2-3H2,1H3.
What are the key properties of 4,5-dichloro-1-(3-fluorobutyl)imidazole?
4,5-dichloro-1-(3-fluorobutyl)imidazole has a molecular weight of 211.07 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(3-fluorobutyl)imidazole is sourced from PubChem (CID 130739866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).