1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole

C11H10ClFN2 — CID 43313562

IUPAC1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole
SMILESCc1nccn1-c1ccc(F)cc1CCl
InChIInChI=1S/C11H10ClFN2/c1-8-14-4-5-15(8)11-3-2-10(13)6-9(11)7-12/h2-6H,7H2,1H3
InChIKeyZXKXQMUGVJLVEF-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.06
Rot. Bonds2

About 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole

1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole (PubChem CID 43313562) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole
PubChem CID43313562
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole
SMILESCc1nccn1-c1ccc(F)cc1CCl
InChIInChI=1S/C11H10ClFN2/c1-8-14-4-5-15(8)11-3-2-10(13)6-9(11)7-12/h2-6H,7H2,1H3
InChIKeyZXKXQMUGVJLVEF-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-methylimidazol-1-yl)benzaldehyde
CID 43313022
1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43188939
4-(chloromethyl)-3-fluoro-2-(2-methylimidazol-1-yl)pyridine
CID 105383707
N-ethyl-1-[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 43284796
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 86845340
1-(2,4-difluorophenyl)-3-[[2-(2-methylimidazol-1-yl)phenyl]methyl]urea
CID 47085409
1-[[5-fluoro-2-(2-methylimidazol-1-yl)phenyl]methyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 75374809
1-[3-chloro-2-(chloromethyl)phenyl]-2-methylimidazole
CID 28946545
N-[[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 61405500
1-[2-(2-ethylimidazol-1-yl)-5-fluorophenyl]propan-2-amine
CID 63816962
5-(chloromethyl)-4-methyl-2-(2-methylimidazol-1-yl)pyrimidine
CID 83184417
1-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 47078008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole?
The IUPAC name of 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole (CID 43313562) is 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole is Cc1nccn1-c1ccc(F)cc1CCl.
What is the InChIKey of 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole?
The InChIKey is ZXKXQMUGVJLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c1-8-14-4-5-15(8)11-3-2-10(13)6-9(11)7-12/h2-6H,7H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole?
1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole has a molecular weight of 224.67 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-4-fluorophenyl]-2-methylimidazole is sourced from PubChem (CID 43313562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).