1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole

C11H9ClF2N2 — CID 21402230

IUPAC1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
SMILESFc1ccc(C(Cl)Cn2ccnc2)c(F)c1
InChIInChI=1S/C11H9ClF2N2/c12-10(6-16-4-3-15-7-16)9-2-1-8(13)5-11(9)14/h1-5,7,10H,6H2
InChIKeyJYOLBQNHPHNEHV-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole

1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole (PubChem CID 21402230) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
PubChem CID21402230
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole
SMILESFc1ccc(C(Cl)Cn2ccnc2)c(F)c1
InChIInChI=1S/C11H9ClF2N2/c12-10(6-16-4-3-15-7-16)9-2-1-8(13)5-11(9)14/h1-5,7,10H,6H2
InChIKeyJYOLBQNHPHNEHV-UHFFFAOYSA-N
XLogP3.14
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]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

1-[2-(2,4-difluorophenyl)-2-nonylsulfanylethyl]imidazole
CID 21402241
(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine;hydrochloride
CID 20844811
1-[2-(2,4-difluorophenyl)-2-(2-ethylphenyl)selanylethyl]imidazole
CID 164615928
1-[2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 51083657
1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2-imidazol-1-ylethyl)urea
CID 94172086
N-[(2,4-difluorophenyl)methyl]-1-imidazol-1-yl-3,3-dimethylbutan-2-amine
CID 43749470
1-(4-fluorophenyl)-2-imidazol-1-ylethanamine
CID 16787972
2,4-bis(4-fluoro-2-nitrophenyl)-1,5-di(imidazol-1-yl)pentan-3-one
CID 174716691
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
(1R)-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanol
CID 853401
1-(2,5-dichlorophenyl)-2-imidazol-1-ylethanol
CID 12760611
N-[(2-chloro-4-fluorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 54958468

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole?
The IUPAC name of 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole (CID 21402230) is 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole.
What is the SMILES notation for 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole?
The canonical SMILES for 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole is Fc1ccc(C(Cl)Cn2ccnc2)c(F)c1.
What is the InChIKey of 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole?
The InChIKey is JYOLBQNHPHNEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c12-10(6-16-4-3-15-7-16)9-2-1-8(13)5-11(9)14/h1-5,7,10H,6H2.
What are the key properties of 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole?
1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole has a molecular weight of 242.66 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(2,4-difluorophenyl)ethyl]imidazole is sourced from PubChem (CID 21402230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).