2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole

C21H24N2 — CID 70909578

IUPAC2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
SMILESCCC(C)c1ccc(-c2cnc(Cc3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C21H24N2/c1-4-15(2)18-10-11-19(16(3)12-18)20-14-22-21(23-20)13-17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)
InChIKeyZCROZGIUTMOKCM-UHFFFAOYSA-N
MW304.44 g/mol
LogP5.49
Rot. Bonds5

About 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole

2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole (PubChem CID 70909578) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
PubChem CID70909578
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole
SMILESCCC(C)c1ccc(-c2cnc(Cc3ccccc3)[nH]2)c(C)c1
InChIInChI=1S/C21H24N2/c1-4-15(2)18-10-11-19(16(3)12-18)20-14-22-21(23-20)13-17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)
InChIKeyZCROZGIUTMOKCM-UHFFFAOYSA-N
XLogP5.49
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

2-benzyl-5-(2,5-dichlorophenyl)-1H-imidazole
CID 141255834
1-benzyl-3-butan-2-ylbenzene
CID 15748559
2-benzyl-5-(3-butylphenyl)-1H-imidazole
CID 91210581
2-benzyl-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 142780374
2-[(3-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198735
2-[5-(2-methylphenyl)-1H-imidazol-2-yl]-1-phenylethanamine
CID 43651628
2-benzyl-4-(3-butan-2-ylphenyl)-1-(3-methylphenyl)benzene
CID 102199994
2-[(4-chlorophenyl)methyl]-5-(4-propan-2-ylphenyl)-1H-imidazole
CID 46198736
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60862791
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
2-(4-butan-2-yl-2-methylphenyl)-3H-benzimidazol-5-ol
CID 167259464
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
CID 54795214

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
The IUPAC name of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole (CID 70909578) is 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole.
What is the SMILES notation for 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
The canonical SMILES for 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole is CCC(C)c1ccc(-c2cnc(Cc3ccccc3)[nH]2)c(C)c1.
What is the InChIKey of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
The InChIKey is ZCROZGIUTMOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-15(2)18-10-11-19(16(3)12-18)20-14-22-21(23-20)13-17-8-6-5-7-9-17/h5-12,14-15H,4,13H2,1-3H3,(H,22,23).
What are the key properties of 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole?
2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole has a molecular weight of 304.44 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(4-butan-2-yl-2-methylphenyl)-1H-imidazole is sourced from PubChem (CID 70909578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).