5-(chloromethyl)-1-(3-fluoropropyl)imidazole

C7H10ClFN2 — CID 130504730

IUPAC5-(chloromethyl)-1-(3-fluoropropyl)imidazole
SMILESFCCCn1cncc1CCl
InChIInChI=1S/C7H10ClFN2/c8-4-7-5-10-6-11(7)3-1-2-9/h5-6H,1-4H2
InChIKeyYCEPLKHTBINWAG-UHFFFAOYSA-N
MW176.62 g/mol
LogP1.98
Rot. Bonds4

About 5-(chloromethyl)-1-(3-fluoropropyl)imidazole

5-(chloromethyl)-1-(3-fluoropropyl)imidazole (PubChem CID 130504730) has the molecular formula C7H10ClFN2 and a molecular weight of 176.62 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(3-fluoropropyl)imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(3-fluoropropyl)imidazole
PubChem CID130504730
Molecular FormulaC7H10ClFN2
Molecular Weight176.62 g/mol
Exact Mass176.05
IUPAC Name5-(chloromethyl)-1-(3-fluoropropyl)imidazole
SMILESFCCCn1cncc1CCl
InChIInChI=1S/C7H10ClFN2/c8-4-7-5-10-6-11(7)3-1-2-9/h5-6H,1-4H2
InChIKeyYCEPLKHTBINWAG-UHFFFAOYSA-N
XLogP1.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.62
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(3-fluoropropyl)imidazole?
The IUPAC name of 5-(chloromethyl)-1-(3-fluoropropyl)imidazole (CID 130504730) is 5-(chloromethyl)-1-(3-fluoropropyl)imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-(3-fluoropropyl)imidazole?
The canonical SMILES for 5-(chloromethyl)-1-(3-fluoropropyl)imidazole is FCCCn1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(3-fluoropropyl)imidazole?
The InChIKey is YCEPLKHTBINWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClFN2/c8-4-7-5-10-6-11(7)3-1-2-9/h5-6H,1-4H2.
What are the key properties of 5-(chloromethyl)-1-(3-fluoropropyl)imidazole?
5-(chloromethyl)-1-(3-fluoropropyl)imidazole has a molecular weight of 176.62 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(3-fluoropropyl)imidazole is sourced from PubChem (CID 130504730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).