4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole

C11H10ClFN2 — CID 106720825

IUPAC4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
SMILESFc1ccccc1Cn1cnc(CCl)c1
InChIInChI=1S/C11H10ClFN2/c12-5-10-7-15(8-14-10)6-9-3-1-2-4-11(9)13/h1-4,7-8H,5-6H2
InChIKeyVCSZUNCCSKOPRI-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.81
Rot. Bonds3

About 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole

4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole (PubChem CID 106720825) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
PubChem CID106720825
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
SMILESFc1ccccc1Cn1cnc(CCl)c1
InChIInChI=1S/C11H10ClFN2/c12-5-10-7-15(8-14-10)6-9-3-1-2-4-11(9)13/h1-4,7-8H,5-6H2
InChIKeyVCSZUNCCSKOPRI-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.81
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 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole?
The IUPAC name of 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole (CID 106720825) is 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole?
The canonical SMILES for 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole is Fc1ccccc1Cn1cnc(CCl)c1.
What is the InChIKey of 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole?
The InChIKey is VCSZUNCCSKOPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c12-5-10-7-15(8-14-10)6-9-3-1-2-4-11(9)13/h1-4,7-8H,5-6H2.
What are the key properties of 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole?
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole has a molecular weight of 224.67 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 106720825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).