4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole

C10H7ClF2N2 — CID 130482631

IUPAC4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole
SMILESFc1cccc(F)c1-n1cnc(CCl)c1
InChIInChI=1S/C10H7ClF2N2/c11-4-7-5-15(6-14-7)10-8(12)2-1-3-9(10)13/h1-3,5-6H,4H2
InChIKeyQWWSJRONCAGENL-UHFFFAOYSA-N
MW228.63 g/mol
LogP2.89
Rot. Bonds2

About 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole

4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole (PubChem CID 130482631) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole
PubChem CID130482631
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole
SMILESFc1cccc(F)c1-n1cnc(CCl)c1
InChIInChI=1S/C10H7ClF2N2/c11-4-7-5-15(6-14-7)10-8(12)2-1-3-9(10)13/h1-3,5-6H,4H2
InChIKeyQWWSJRONCAGENL-UHFFFAOYSA-N
XLogP2.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-1-(2,6-difluorophenyl)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-(2,6-dichlorophenyl)imidazole
CID 130482269
N-[[1-(2,6-difluorophenyl)imidazol-4-yl]methyl]propan-2-amine
CID 114203929
4-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 106720825
4-(2-chloroethyl)-1-(2,6-difluorophenyl)triazole
CID 62399494
[1-(2-fluorophenyl)imidazol-4-yl]methanamine
CID 82468834
1-(2-bromo-4-chlorophenyl)-4-(chloromethyl)imidazole
CID 130482355
4-(bromomethyl)-1-(2-fluorophenyl)imidazole
CID 130482556
3-[4-(chloromethyl)imidazol-1-yl]-1,5-dimethylpyrazole
CID 130497189
2-[1-(2-fluorophenyl)imidazol-4-yl]acetic acid
CID 82472522
3-(chloromethyl)-1-(2-fluoro-6-nitrophenyl)pyrazole
CID 81311925
4-[4-(chloromethyl)imidazol-1-yl]-2-methylquinoline
CID 114204834
4-(chloromethyl)-1-tritylimidazole
CID 2763176

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole (CID 130482631) is 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole is Fc1cccc(F)c1-n1cnc(CCl)c1.
What is the InChIKey of 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole?
The InChIKey is QWWSJRONCAGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c11-4-7-5-15(6-14-7)10-8(12)2-1-3-9(10)13/h1-3,5-6H,4H2.
What are the key properties of 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole?
4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole has a molecular weight of 228.63 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2,6-difluorophenyl)imidazole is sourced from PubChem (CID 130482631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).