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

C23H29N3O — CID 84571354

IUPAC2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-16(2)14-24-21(27)15-26-20-9-7-6-8-19(20)25-22(26)17-10-12-18(13-11-17)23(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,24,27)
InChIKeyTUQFRLXOLZJXRY-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.77
Rot. Bonds5

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

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 84571354) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID84571354
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21
InChIInChI=1S/C23H29N3O/c1-16(2)14-24-21(27)15-26-20-9-7-6-8-19(20)25-22(26)17-10-12-18(13-11-17)23(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,24,27)
InChIKeyTUQFRLXOLZJXRY-UHFFFAOYSA-N
XLogP4.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.77
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
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]-N-(4-chlorophenyl)acetamide
CID 84572790
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
CID 84571341
N-ethyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032718
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
2-(2-phenylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17032674
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-(2-methylbenzimidazol-1-yl)-N-(2-methylpropylcarbamoyl)acetamide
CID 7755635

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide (CID 84571354) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is TUQFRLXOLZJXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16(2)14-24-21(27)15-26-20-9-7-6-8-19(20)25-22(26)17-10-12-18(13-11-17)23(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,24,27).
What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide?
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 4.77, 5 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 84571354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).