5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole

C11H10ClFN2S — CID 66064944

IUPAC5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole
SMILESFc1ccc(SCc2ncc(CCl)[nH]2)cc1
InChIInChI=1S/C11H10ClFN2S/c12-5-9-6-14-11(15-9)7-16-10-3-1-8(13)2-4-10/h1-4,6H,5,7H2,(H,14,15)
InChIKeyRZYCDSILAVWGLG-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.58
Rot. Bonds4

About 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole

5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole (PubChem CID 66064944) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole
PubChem CID66064944
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole
SMILESFc1ccc(SCc2ncc(CCl)[nH]2)cc1
InChIInChI=1S/C11H10ClFN2S/c12-5-9-6-14-11(15-9)7-16-10-3-1-8(13)2-4-10/h1-4,6H,5,7H2,(H,14,15)
InChIKeyRZYCDSILAVWGLG-UHFFFAOYSA-N
XLogP3.58
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.58
H-Bond Donors ≤ 51
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)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole?
The IUPAC name of 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole (CID 66064944) is 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole.
What is the SMILES notation for 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole?
The canonical SMILES for 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole is Fc1ccc(SCc2ncc(CCl)[nH]2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole?
The InChIKey is RZYCDSILAVWGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c12-5-9-6-14-11(15-9)7-16-10-3-1-8(13)2-4-10/h1-4,6H,5,7H2,(H,14,15).
What are the key properties of 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole?
5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole has a molecular weight of 256.73 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazole is sourced from PubChem (CID 66064944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).