2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole

C11H13ClN2 — CID 25034501

IUPAC2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccccc1CCC1=NCCN1
InChIInChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4H,5-8H2,(H,13,14)
InChIKeyLFQGPHAPVYOELL-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.27
Rot. Bonds3

About 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 25034501) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID25034501
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccccc1CCC1=NCCN1
InChIInChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4H,5-8H2,(H,13,14)
InChIKeyLFQGPHAPVYOELL-UHFFFAOYSA-N
XLogP2.27
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 25034501) is 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole is Clc1ccccc1CCC1=NCCN1.
What is the InChIKey of 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LFQGPHAPVYOELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c12-10-4-2-1-3-9(10)5-6-11-13-7-8-14-11/h1-4H,5-8H2,(H,13,14).
What are the key properties of 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 208.69 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 25034501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).