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

C11H9Cl2FN2 — CID 106720781

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
SMILESFc1ccc(Cn2cnc(CCl)c2)c(Cl)c1
InChIInChI=1S/C11H9Cl2FN2/c12-4-10-6-16(7-15-10)5-8-1-2-9(14)3-11(8)13/h1-3,6-7H,4-5H2
InChIKeyRANNZXXUXOAJDC-UHFFFAOYSA-N
MW259.11 g/mol
LogP3.46
Rot. Bonds3

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

1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole (PubChem CID 106720781) has the molecular formula C11H9Cl2FN2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
PubChem CID106720781
Molecular FormulaC11H9Cl2FN2
Molecular Weight259.11 g/mol
Exact Mass258.01
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole
SMILESFc1ccc(Cn2cnc(CCl)c2)c(Cl)c1
InChIInChI=1S/C11H9Cl2FN2/c12-4-10-6-16(7-15-10)5-8-1-2-9(14)3-11(8)13/h1-3,6-7H,4-5H2
InChIKeyRANNZXXUXOAJDC-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
4-(chloromethyl)-1-[(2,5-dichlorothiophen-3-yl)methyl]imidazole
CID 130705880
[1-[(2-chloro-4-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106865995
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
N-[[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719617
N-[2-[1-[(2-chloro-5-fluorophenyl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 102619765
4-[[4-(chloromethyl)imidazol-1-yl]methyl]-3-methylbenzonitrile
CID 106720819
[1-[(5-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanol
CID 106717550
[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]methanamine;hydrochloride
CID 146194722
1-[(2-chloro-4-fluorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 115569491
1-[(2-chloro-4-cyclopropylphenyl)methyl]-4-fluoroimidazole
CID 167287525
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole (CID 106720781) is 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole is Fc1ccc(Cn2cnc(CCl)c2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole?
The InChIKey is RANNZXXUXOAJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2FN2/c12-4-10-6-16(7-15-10)5-8-1-2-9(14)3-11(8)13/h1-3,6-7H,4-5H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole?
1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole has a molecular weight of 259.11 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-4-(chloromethyl)imidazole is sourced from PubChem (CID 106720781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).