2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone

C26H26N2O — CID 84571531

IUPAC2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N2O/c1-18-9-11-19(12-10-18)24(29)17-28-23-8-6-5-7-22(23)27-25(28)20-13-15-21(16-14-20)26(2,3)4/h5-16H,17H2,1-4H3
InChIKeyWZCOVYVYXFXGEK-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.19
Rot. Bonds4

About 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 84571531) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID84571531
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H26N2O/c1-18-9-11-19(12-10-18)24(29)17-28-23-8-6-5-7-22(23)27-25(28)20-13-15-21(16-14-20)26(2,3)4/h5-16H,17H2,1-4H3
InChIKeyWZCOVYVYXFXGEK-UHFFFAOYSA-N
XLogP6.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(3,4-dimethylphenyl)ethanone
CID 84571634
1-(4-bromophenyl)-3-[2-(4-tert-butylphenyl)benzimidazol-1-yl]propan-1-one
CID 84571654
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(1H-indol-3-yl)ethanone
CID 84571615
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354
[2-(4-tert-butylphenyl)benzimidazol-1-yl]methyl acetate
CID 146365673
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
2-(4-tert-butylphenyl)-1-pentylbenzimidazole
CID 84571437
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone (CID 84571531) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is WZCOVYVYXFXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-18-9-11-19(12-10-18)24(29)17-28-23-8-6-5-7-22(23)27-25(28)20-13-15-21(16-14-20)26(2,3)4/h5-16H,17H2,1-4H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone?
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 382.51 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 84571531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).