N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide

C33H33N3O — CID 16994310

IUPACN-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C33H33N3O/c37-33(24-26-19-21-29(22-20-26)28-14-6-2-7-15-28)34-23-11-3-8-18-32-35-30-16-9-10-17-31(30)36(32)25-27-12-4-1-5-13-27/h1-2,4-7,9-10,12-17,19-22H,3,8,11,18,23-25H2,(H,34,37)
InChIKeyOJBUQUXWPIBYTA-UHFFFAOYSA-N
MW487.65 g/mol
LogP6.82
Rot. Bonds11

About N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide

N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16994310) has the molecular formula C33H33N3O and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
PubChem CID16994310
Molecular FormulaC33H33N3O
Molecular Weight487.65 g/mol
Exact Mass487.26
IUPAC NameN-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C33H33N3O/c37-33(24-26-19-21-29(22-20-26)28-14-6-2-7-15-28)34-23-11-3-8-18-32-35-30-16-9-10-17-31(30)36(32)25-27-12-4-1-5-13-27/h1-2,4-7,9-10,12-17,19-22H,3,8,11,18,23-25H2,(H,34,37)
InChIKeyOJBUQUXWPIBYTA-UHFFFAOYSA-N
XLogP6.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 56.82
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-[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
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993357
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
2-(4-phenylphenyl)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994316
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-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 16985868
N-[3-(1-hexadecylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985848
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 16985842
2-(4-chlorophenyl)-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993844

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide (CID 16994310) is N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)NCCCCCc1nc2ccccc2n1Cc1ccccc1.
What is the InChIKey of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is OJBUQUXWPIBYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O/c37-33(24-26-19-21-29(22-20-26)28-14-6-2-7-15-28)34-23-11-3-8-18-32-35-30-16-9-10-17-31(30)36(32)25-27-12-4-1-5-13-27/h1-2,4-7,9-10,12-17,19-22H,3,8,11,18,23-25H2,(H,34,37).
What are the key properties of N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 487.65 g/mol, XLogP of 6.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16994310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).