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

C25H31N3O — CID 84571341

IUPAC2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H31N3O/c1-25(2,3)19-15-13-18(14-16-19)24-27-21-11-7-8-12-22(21)28(24)17-23(29)26-20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10,17H2,1-3H3,(H,26,29)
InChIKeyXPPBZBRJUNCORV-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.45
Rot. Bonds4

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

2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide (PubChem CID 84571341) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
PubChem CID84571341
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C25H31N3O/c1-25(2,3)19-15-13-18(14-16-19)24-27-21-11-7-8-12-22(21)28(24)17-23(29)26-20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10,17H2,1-3H3,(H,26,29)
InChIKeyXPPBZBRJUNCORV-UHFFFAOYSA-N
XLogP5.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157478
N-cyclopentyl-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032820
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 84571354
N-cyclopentyl-2-[2-(ethylamino)benzimidazol-1-yl]acetamide
CID 82359517
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
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
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 84571223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide (CID 84571341) is 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide is CC(C)(C)c1ccc(-c2nc3ccccc3n2CC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
The InChIKey is XPPBZBRJUNCORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O/c1-25(2,3)19-15-13-18(14-16-19)24-27-21-11-7-8-12-22(21)28(24)17-23(29)26-20-9-5-4-6-10-20/h7-8,11-16,20H,4-6,9-10,17H2,1-3H3,(H,26,29).
What are the key properties of 2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide?
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-cyclohexylacetamide has a molecular weight of 389.54 g/mol, XLogP of 5.45, 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-cyclohexylacetamide is sourced from PubChem (CID 84571341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).