2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide

C29H33N3O — CID 16993525

IUPAC2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCc1ccccc1CC(=O)NCCCCCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C29H33N3O/c1-23-12-7-8-15-25(23)22-29(33)30-20-11-3-6-18-28-31-26-16-9-10-17-27(26)32(28)21-19-24-13-4-2-5-14-24/h2,4-5,7-10,12-17H,3,6,11,18-22H2,1H3,(H,30,33)
InChIKeyIPXQJGFVOOVTGX-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.66
Rot. Bonds11

About 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide

2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide (PubChem CID 16993525) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
PubChem CID16993525
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
SMILESCc1ccccc1CC(=O)NCCCCCc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C29H33N3O/c1-23-12-7-8-15-25(23)22-29(33)30-20-11-3-6-18-28-31-26-16-9-10-17-27(26)32(28)21-19-24-13-4-2-5-14-24/h2,4-5,7-10,12-17H,3,6,11,18-22H2,1H3,(H,30,33)
InChIKeyIPXQJGFVOOVTGX-UHFFFAOYSA-N
XLogP5.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.66
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

2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
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-ethylbenzimidazol-2-yl)propyl]-2-(2-methylphenyl)acetamide
CID 16985019
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993574
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
N-[5-[1-[3-(azepan-1-yl)-3-oxopropyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993629
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989477
2-(2-methylphenyl)-N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993582
N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993567

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide (CID 16993525) is 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide is Cc1ccccc1CC(=O)NCCCCCc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide?
The InChIKey is IPXQJGFVOOVTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-23-12-7-8-15-25(23)22-29(33)30-20-11-3-6-18-28-31-26-16-9-10-17-27(26)32(28)21-19-24-13-4-2-5-14-24/h2,4-5,7-10,12-17H,3,6,11,18-22H2,1H3,(H,30,33).
What are the key properties of 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide?
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide has a molecular weight of 439.60 g/mol, XLogP of 5.66, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide is sourced from PubChem (CID 16993525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).