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

C6H7Cl2FN2 — CID 131084164

IUPAC4,5-dichloro-1-(3-fluoropropyl)imidazole
SMILESFCCCn1cnc(Cl)c1Cl
InChIInChI=1S/C6H7Cl2FN2/c7-5-6(8)11(4-10-5)3-1-2-9/h4H,1-3H2
InChIKeySSBUIMIWKBFHCA-UHFFFAOYSA-N
MW197.04 g/mol
LogP2.55
Rot. Bonds3

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

4,5-dichloro-1-(3-fluoropropyl)imidazole (PubChem CID 131084164) has the molecular formula C6H7Cl2FN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is 4,5-dichloro-1-(3-fluoropropyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(3-fluoropropyl)imidazole
PubChem CID131084164
Molecular FormulaC6H7Cl2FN2
Molecular Weight197.04 g/mol
Exact Mass196.00
IUPAC Name4,5-dichloro-1-(3-fluoropropyl)imidazole
SMILESFCCCn1cnc(Cl)c1Cl
InChIInChI=1S/C6H7Cl2FN2/c7-5-6(8)11(4-10-5)3-1-2-9/h4H,1-3H2
InChIKeySSBUIMIWKBFHCA-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 52.55
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-fluoropropyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(3-fluoropropyl)imidazole (CID 131084164) is 4,5-dichloro-1-(3-fluoropropyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(3-fluoropropyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(3-fluoropropyl)imidazole is FCCCn1cnc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-(3-fluoropropyl)imidazole?
The InChIKey is SSBUIMIWKBFHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2FN2/c7-5-6(8)11(4-10-5)3-1-2-9/h4H,1-3H2.
What are the key properties of 4,5-dichloro-1-(3-fluoropropyl)imidazole?
4,5-dichloro-1-(3-fluoropropyl)imidazole has a molecular weight of 197.04 g/mol, XLogP of 2.55, 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-fluoropropyl)imidazole is sourced from PubChem (CID 131084164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).