2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide

C25H24ClN3O — CID 84572790

IUPAC2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H24ClN3O/c1-25(2,3)18-10-8-17(9-11-18)24-28-21-6-4-5-7-22(21)29(24)16-23(30)27-20-14-12-19(26)13-15-20/h4-15H,16H2,1-3H3,(H,27,30)
InChIKeySUUBITWRBMFACF-UHFFFAOYSA-N
MW417.94 g/mol
LogP6.29
Rot. Bonds4

About 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 84572790) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
PubChem CID84572790
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H24ClN3O/c1-25(2,3)18-10-8-17(9-11-18)24-28-21-6-4-5-7-22(21)29(24)16-23(30)27-20-14-12-19(26)13-15-20/h4-15H,16H2,1-3H3,(H,27,30)
InChIKeySUUBITWRBMFACF-UHFFFAOYSA-N
XLogP6.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17033143
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-chlorophenyl)-2-[2-(4-methyl-1,3-thiazol-2-yl)benzimidazol-1-yl]acetamide
CID 67473088
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
N-(4-tert-butylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4566508
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide (CID 84572790) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide is CC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is SUUBITWRBMFACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-25(2,3)18-10-8-17(9-11-18)24-28-21-6-4-5-7-22(21)29(24)16-23(30)27-20-14-12-19(26)13-15-20/h4-15H,16H2,1-3H3,(H,27,30).
What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide?
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 417.94 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 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]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 84572790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).