N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

C31H37N3O — CID 16993357

IUPACN-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
SMILESCC(C)(C)c1ccc(Cn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H37N3O/c1-31(2,3)26-19-17-25(18-20-26)23-34-28-15-10-9-14-27(28)33-29(34)16-8-5-11-21-32-30(35)22-24-12-6-4-7-13-24/h4,6-7,9-10,12-15,17-20H,5,8,11,16,21-23H2,1-3H3,(H,32,35)
InChIKeyQSJTVCRJPAUNCX-UHFFFAOYSA-N
MW467.66 g/mol
LogP6.45
Rot. Bonds10

About N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (PubChem CID 16993357) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
PubChem CID16993357
Molecular FormulaC31H37N3O
Molecular Weight467.66 g/mol
Exact Mass467.29
IUPAC NameN-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
SMILESCC(C)(C)c1ccc(Cn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C31H37N3O/c1-31(2,3)26-19-17-25(18-20-26)23-34-28-15-10-9-14-27(28)33-29(34)16-8-5-11-21-32-30(35)22-24-12-6-4-7-13-24/h4,6-7,9-10,12-15,17-20H,5,8,11,16,21-23H2,1-3H3,(H,32,35)
InChIKeyQSJTVCRJPAUNCX-UHFFFAOYSA-N
XLogP6.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993356
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985850
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327
2-(4-phenylphenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994330
2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[3-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-phenylacetamide
CID 16984897
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16978942

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The IUPAC name of N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (CID 16993357) is N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is CC(C)(C)c1ccc(Cn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The InChIKey is QSJTVCRJPAUNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c1-31(2,3)26-19-17-25(18-20-26)23-34-28-15-10-9-14-27(28)33-29(34)16-8-5-11-21-32-30(35)22-24-12-6-4-7-13-24/h4,6-7,9-10,12-15,17-20H,5,8,11,16,21-23H2,1-3H3,(H,32,35).
What are the key properties of N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide has a molecular weight of 467.66 g/mol, XLogP of 6.45, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is sourced from PubChem (CID 16993357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).