2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole

C11H9ClF2N2 — CID 61085454

IUPAC2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
SMILESFc1ccc(C(Cl)Cc2ncc[nH]2)cc1F
InChIInChI=1S/C11H9ClF2N2/c12-8(6-11-15-3-4-16-11)7-1-2-9(13)10(14)5-7/h1-5,8H,6H2,(H,15,16)
InChIKeyHKBVIYOJQXLDMD-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.21
Rot. Bonds3

About 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole

2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole (PubChem CID 61085454) has the molecular formula C11H9ClF2N2 and a molecular weight of 242.66 g/mol. Its IUPAC name is 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
PubChem CID61085454
Molecular FormulaC11H9ClF2N2
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole
SMILESFc1ccc(C(Cl)Cc2ncc[nH]2)cc1F
InChIInChI=1S/C11H9ClF2N2/c12-8(6-11-15-3-4-16-11)7-1-2-9(13)10(14)5-7/h1-5,8H,6H2,(H,15,16)
InChIKeyHKBVIYOJQXLDMD-UHFFFAOYSA-N
XLogP3.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-2-(3-fluoro-4-methoxyphenyl)ethyl]-1H-imidazole
CID 62920751
2-[2-chloro-2-(3-chlorophenyl)ethyl]-1H-imidazole
CID 61086064
2-[2-chloro-2-(3-chloro-4-iodophenyl)ethyl]-1H-imidazole
CID 103210719
2-[2-chloro-2-(4-iodophenyl)ethyl]-1H-imidazole
CID 61085033
2-[2-(4-bromophenyl)-2-chloroethyl]-1H-imidazole
CID 61086063
2-[2-chloro-2-(4-methylsulfanylphenyl)ethyl]-1H-imidazole
CID 79217007
4-[1-chloro-2-(1H-imidazol-2-yl)ethyl]pyridine
CID 114996059
2-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-1H-imidazole
CID 61085662
2-[2-(4-bromo-2-fluorophenyl)-2-chloroethyl]-1H-imidazole
CID 61084433
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1H-imidazole
CID 61086262
2-[2-bromo-2-(3-fluoro-4-methylphenyl)ethyl]-1H-imidazole
CID 61096376
2-[2-bromo-2-(5-chloro-2-fluorophenyl)ethyl]-1H-imidazole
CID 61098179

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole (CID 61085454) is 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole is Fc1ccc(C(Cl)Cc2ncc[nH]2)cc1F.
What is the InChIKey of 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole?
The InChIKey is HKBVIYOJQXLDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2/c12-8(6-11-15-3-4-16-11)7-1-2-9(13)10(14)5-7/h1-5,8H,6H2,(H,15,16).
What are the key properties of 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole?
2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole has a molecular weight of 242.66 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(3,4-difluorophenyl)ethyl]-1H-imidazole is sourced from PubChem (CID 61085454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).