1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole

C20H20N2 — CID 174750124

IUPAC1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole
SMILESC=C(c1cc(C)cc(C)c1)c1cn(Cc2ccccc2)cn1
InChIInChI=1S/C20H20N2/c1-15-9-16(2)11-19(10-15)17(3)20-13-22(14-21-20)12-18-7-5-4-6-8-18/h4-11,13-14H,3,12H2,1-2H3
InChIKeyMWRHPIXEQBQYFU-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.61
Rot. Bonds4

About 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole

1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole (PubChem CID 174750124) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole.

Molecular Properties

Compound Name1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole
PubChem CID174750124
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole
SMILESC=C(c1cc(C)cc(C)c1)c1cn(Cc2ccccc2)cn1
InChIInChI=1S/C20H20N2/c1-15-9-16(2)11-19(10-15)17(3)20-13-22(14-21-20)12-18-7-5-4-6-8-18/h4-11,13-14H,3,12H2,1-2H3
InChIKeyMWRHPIXEQBQYFU-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole?
The IUPAC name of 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole (CID 174750124) is 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole.
What is the SMILES notation for 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole?
The canonical SMILES for 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole is C=C(c1cc(C)cc(C)c1)c1cn(Cc2ccccc2)cn1.
What is the InChIKey of 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole?
The InChIKey is MWRHPIXEQBQYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-15-9-16(2)11-19(10-15)17(3)20-13-22(14-21-20)12-18-7-5-4-6-8-18/h4-11,13-14H,3,12H2,1-2H3.
What are the key properties of 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole?
1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole has a molecular weight of 288.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(3,5-dimethylphenyl)ethenyl]imidazole is sourced from PubChem (CID 174750124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).