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

C36H47N3O — CID 16994305

IUPACN-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCCCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C36H47N3O/c1-2-3-4-5-6-7-8-17-28-39-34-21-15-14-20-33(34)38-35(39)22-13-10-16-27-37-36(40)29-30-23-25-32(26-24-30)31-18-11-9-12-19-31/h9,11-12,14-15,18-21,23-26H,2-8,10,13,16-17,22,27-29H2,1H3,(H,37,40)
InChIKeyIUJNTKUNAYLCJY-UHFFFAOYSA-N
MW537.79 g/mol
LogP8.92
Rot. Bonds18

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

N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide (PubChem CID 16994305) has the molecular formula C36H47N3O and a molecular weight of 537.79 g/mol. Its IUPAC name is N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
PubChem CID16994305
Molecular FormulaC36H47N3O
Molecular Weight537.79 g/mol
Exact Mass537.37
IUPAC NameN-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
SMILESCCCCCCCCCCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21
InChIInChI=1S/C36H47N3O/c1-2-3-4-5-6-7-8-17-28-39-34-21-15-14-20-33(34)38-35(39)22-13-10-16-27-37-36(40)29-30-23-25-32(26-24-30)31-18-11-9-12-19-31/h9,11-12,14-15,18-21,23-26H,2-8,10,13,16-17,22,27-29H2,1H3,(H,37,40)
InChIKeyIUJNTKUNAYLCJY-UHFFFAOYSA-N
XLogP8.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.79
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
2-phenyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]acetamide
CID 16993334
N-[5-(1-butylbenzimidazol-2-yl)pentyl]-2-phenylacetamide
CID 16993325
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
CID 16992525
2-(2-methylphenyl)-N-[5-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 16993490

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide (CID 16994305) is N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide is CCCCCCCCCCn1c(CCCCCNC(=O)Cc2ccc(-c3ccccc3)cc2)nc2ccccc21.
What is the InChIKey of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
The InChIKey is IUJNTKUNAYLCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H47N3O/c1-2-3-4-5-6-7-8-17-28-39-34-21-15-14-20-33(34)38-35(39)22-13-10-16-27-37-36(40)29-30-23-25-32(26-24-30)31-18-11-9-12-19-31/h9,11-12,14-15,18-21,23-26H,2-8,10,13,16-17,22,27-29H2,1H3,(H,37,40).
What are the key properties of N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide?
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide has a molecular weight of 537.79 g/mol, XLogP of 8.92, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 16994305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).