2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole

C20H21ClN2 — CID 68875748

IUPAC2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole
SMILESCc1c(CCc2ccc(Cl)cc2)cccc1[C@H](C)c1ncc[nH]1
InChIInChI=1S/C20H21ClN2/c1-14-17(9-6-16-7-10-18(21)11-8-16)4-3-5-19(14)15(2)20-22-12-13-23-20/h3-5,7-8,10-13,15H,6,9H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyJSUDGPZWKLSGGT-HNNXBMFYSA-N
MW324.86 g/mol
LogP5.31
Rot. Bonds5

About 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole

2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole (PubChem CID 68875748) has the molecular formula C20H21ClN2 and a molecular weight of 324.86 g/mol. Its IUPAC name is 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole
PubChem CID68875748
Molecular FormulaC20H21ClN2
Molecular Weight324.86 g/mol
Exact Mass324.14
IUPAC Name2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole
SMILESCc1c(CCc2ccc(Cl)cc2)cccc1[C@H](C)c1ncc[nH]1
InChIInChI=1S/C20H21ClN2/c1-14-17(9-6-16-7-10-18(21)11-8-16)4-3-5-19(14)15(2)20-22-12-13-23-20/h3-5,7-8,10-13,15H,6,9H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyJSUDGPZWKLSGGT-HNNXBMFYSA-N
XLogP5.31
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.86
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole?
The IUPAC name of 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole (CID 68875748) is 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole?
The canonical SMILES for 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole is Cc1c(CCc2ccc(Cl)cc2)cccc1[C@H](C)c1ncc[nH]1.
What is the InChIKey of 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole?
The InChIKey is JSUDGPZWKLSGGT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21ClN2/c1-14-17(9-6-16-7-10-18(21)11-8-16)4-3-5-19(14)15(2)20-22-12-13-23-20/h3-5,7-8,10-13,15H,6,9H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole?
2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole has a molecular weight of 324.86 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[3-[2-(4-chlorophenyl)ethyl]-2-methylphenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 68875748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).