2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole

C25H24N2 — CID 141198504

IUPAC2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
SMILESCC(C)(C)c1ccc(C=Cc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C25H24N2/c1-25(2,3)21-13-9-18(10-14-21)11-16-24-26-22-15-12-20(17-23(22)27-24)19-7-5-4-6-8-19/h4-17H,1-3H3,(H,26,27)
InChIKeyAOQZIFROVRKIAB-UHFFFAOYSA-N
MW352.48 g/mol
LogP6.70
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole

2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole (PubChem CID 141198504) has the molecular formula C25H24N2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
PubChem CID141198504
Molecular FormulaC25H24N2
Molecular Weight352.48 g/mol
Exact Mass352.19
IUPAC Name2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole
SMILESCC(C)(C)c1ccc(C=Cc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1
InChIInChI=1S/C25H24N2/c1-25(2,3)21-13-9-18(10-14-21)11-16-24-26-22-15-12-20(17-23(22)27-24)19-7-5-4-6-8-19/h4-17H,1-3H3,(H,26,27)
InChIKeyAOQZIFROVRKIAB-UHFFFAOYSA-N
XLogP6.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-chlorophenyl)ethenyl]-6-phenyl-1H-benzimidazole
CID 67164143
1-[2-[2-[2-(4-tert-butylphenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]ethanone
CID 67164172
4-[2-[6-[2-[2-[4-(dimethylamino)phenyl]ethenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]ethenyl]-N,N-dimethylaniline
CID 77336502
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165165
2-[2-[2-[(E)-2-(4-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 24759485
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
6-nitro-2-[(Z)-2-phenylethenyl]-1H-benzimidazole
CID 92970296
N-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 53341464
6-chloro-2-(2-phenylethenyl)-1H-benzimidazole
CID 73193180
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
2-[2-(4-tert-butylphenyl)ethenyl]-5-(2-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 67164771

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole?
The IUPAC name of 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole (CID 141198504) is 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole is CC(C)(C)c1ccc(C=Cc2nc3ccc(-c4ccccc4)cc3[nH]2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole?
The InChIKey is AOQZIFROVRKIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2/c1-25(2,3)21-13-9-18(10-14-21)11-16-24-26-22-15-12-20(17-23(22)27-24)19-7-5-4-6-8-19/h4-17H,1-3H3,(H,26,27).
What are the key properties of 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole?
2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole has a molecular weight of 352.48 g/mol, XLogP of 6.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)ethenyl]-6-phenyl-1H-benzimidazole is sourced from PubChem (CID 141198504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).