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

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Related Compounds

2-[(1S)-1-(3-ethyl-2-methylphenyl)ethyl]-1H-imidazole
CID 124562149
2-[1-(3-fluoro-2-methylphenyl)ethyl]-1H-imidazole
CID 66771238
N-[2-(4-chlorophenyl)ethyl]-2-(1H-imidazol-2-yl)propanamide
CID 173099501
2-(1H-imidazol-2-yl)-2-(2-methylphenyl)ethanamine
CID 116834897
2-(4-chlorophenyl)ethyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 66771474
2-[(1S)-1-(2,4,6-trimethylphenyl)ethyl]-1H-imidazole
CID 124562144
1H-imidazol-2-yl 4-[2-(4-chlorophenyl)ethyl]-6-phenylhexanoate
CID 70565850
2-(4-chloro-2-methylsulfanylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 70278030
4-benzyl-N-[2-(4-chlorophenyl)ethyl]-N-[1-(1H-imidazol-2-yl)ethyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 67421479
3-[2-(1H-imidazol-2-yl)phenyl]butan-1-amine
CID 117307083
4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine
CID 90320724
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830

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).