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

C29H33N3O — CID 84571294

IUPACN-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O/c1-28(2,3)21-13-11-20(12-14-21)27-31-24-9-7-8-10-25(24)32(27)19-26(33)30-23-17-15-22(16-18-23)29(4,5)6/h7-18H,19H2,1-6H3,(H,30,33)
InChIKeyYHHBVPPWLMXORY-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.94
Rot. Bonds4

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

N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide (PubChem CID 84571294) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
PubChem CID84571294
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC NameN-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O/c1-28(2,3)21-13-11-20(12-14-21)27-31-24-9-7-8-10-25(24)32(27)19-26(33)30-23-17-15-22(16-18-23)29(4,5)6/h7-18H,19H2,1-6H3,(H,30,33)
InChIKeyYHHBVPPWLMXORY-UHFFFAOYSA-N
XLogP6.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 84572802
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-tert-butylphenyl)-2-[2-(2-chlorophenyl)benzimidazol-1-yl]acetamide
CID 5252722
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
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
N-(4-tert-butylphenyl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
CID 112787797
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 84571513
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide (CID 84571294) is N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide is CC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide?
The InChIKey is YHHBVPPWLMXORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-28(2,3)21-13-11-20(12-14-21)27-31-24-9-7-8-10-25(24)32(27)19-26(33)30-23-17-15-22(16-18-23)29(4,5)6/h7-18H,19H2,1-6H3,(H,30,33).
What are the key properties of N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide?
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide has a molecular weight of 439.60 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 84571294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).