2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole

C11H12ClFN2 — CID 82287889

IUPAC2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CCC1=NCCN1
InChIInChI=1S/C11H12ClFN2/c12-9-2-1-3-10(13)8(9)4-5-11-14-6-7-15-11/h1-3H,4-7H2,(H,14,15)
InChIKeyQSGYCNLUWOJDKA-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 82287889) has the molecular formula C11H12ClFN2 and a molecular weight of 226.68 g/mol. Its IUPAC name is 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID82287889
Molecular FormulaC11H12ClFN2
Molecular Weight226.68 g/mol
Exact Mass226.07
IUPAC Name2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESFc1cccc(Cl)c1CCC1=NCCN1
InChIInChI=1S/C11H12ClFN2/c12-9-2-1-3-10(13)8(9)4-5-11-14-6-7-15-11/h1-3H,4-7H2,(H,14,15)
InChIKeyQSGYCNLUWOJDKA-UHFFFAOYSA-N
XLogP2.41
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 82287889) is 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole is Fc1cccc(Cl)c1CCC1=NCCN1.
What is the InChIKey of 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QSGYCNLUWOJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2/c12-9-2-1-3-10(13)8(9)4-5-11-14-6-7-15-11/h1-3H,4-7H2,(H,14,15).
What are the key properties of 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 226.68 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-6-fluorophenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82287889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).