5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole

C11H10ClFN2 — CID 63108845

IUPAC5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
SMILESFc1cccc(Cc2ncc(CCl)[nH]2)c1
InChIInChI=1S/C11H10ClFN2/c12-6-10-7-14-11(15-10)5-8-2-1-3-9(13)4-8/h1-4,7H,5-6H2,(H,14,15)
InChIKeyCKBPOSWITSVPPV-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.88
Rot. Bonds3

About 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole

5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole (PubChem CID 63108845) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
PubChem CID63108845
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole
SMILESFc1cccc(Cc2ncc(CCl)[nH]2)c1
InChIInChI=1S/C11H10ClFN2/c12-6-10-7-14-11(15-10)5-8-2-1-3-9(13)4-8/h1-4,7H,5-6H2,(H,14,15)
InChIKeyCKBPOSWITSVPPV-UHFFFAOYSA-N
XLogP2.88
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 63108978
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
2-[(3-fluorophenyl)methyl]-1H-imidazole-5-carboxylic acid
CID 62251169
1-(3-fluorophenyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]methanamine
CID 46784765
5-[(3-fluorophenyl)methyl]-1H-imidazole;hydrochloride
CID 122163567
3-[2-[(3-methoxyphenyl)methyl]-1H-imidazol-5-yl]propanoic acid
CID 95466644
2-chloro-4-[(3-fluorophenyl)methyl]-5-methylpyrimidine
CID 133188343
4-chloro-2-[(3-fluorophenyl)methyl]pyrimidine
CID 61219333
4-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1,3-thiazole
CID 61221053
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
5-bromo-2-[(3-fluorophenyl)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106479199

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole?
The IUPAC name of 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole (CID 63108845) is 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole is Fc1cccc(Cc2ncc(CCl)[nH]2)c1.
What is the InChIKey of 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole?
The InChIKey is CKBPOSWITSVPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c12-6-10-7-14-11(15-10)5-8-2-1-3-9(13)4-8/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole?
5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole has a molecular weight of 224.67 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[(3-fluorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 63108845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).