2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole

C21H24N2 — CID 46231805

IUPAC2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole
SMILESCCc1cccc(CC)c1-c1cccc(-c2nc(C)c(C)[nH]2)c1
InChIInChI=1S/C21H24N2/c1-5-16-9-7-10-17(6-2)20(16)18-11-8-12-19(13-18)21-22-14(3)15(4)23-21/h7-13H,5-6H2,1-4H3,(H,22,23)
InChIKeyGIMOCEUAMKLMSV-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.49
Rot. Bonds4

About 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole

2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole (PubChem CID 46231805) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole
PubChem CID46231805
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole
SMILESCCc1cccc(CC)c1-c1cccc(-c2nc(C)c(C)[nH]2)c1
InChIInChI=1S/C21H24N2/c1-5-16-9-7-10-17(6-2)20(16)18-11-8-12-19(13-18)21-22-14(3)15(4)23-21/h7-13H,5-6H2,1-4H3,(H,22,23)
InChIKeyGIMOCEUAMKLMSV-UHFFFAOYSA-N
XLogP5.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.44
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole (CID 46231805) is 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole is CCc1cccc(CC)c1-c1cccc(-c2nc(C)c(C)[nH]2)c1.
What is the InChIKey of 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole?
The InChIKey is GIMOCEUAMKLMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-5-16-9-7-10-17(6-2)20(16)18-11-8-12-19(13-18)21-22-14(3)15(4)23-21/h7-13H,5-6H2,1-4H3,(H,22,23).
What are the key properties of 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole?
2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-diethylphenyl)phenyl]-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 46231805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).