N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide

C33H49N3O — CID 16992525

IUPACN-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
SMILESCCCCCCCCCCCCn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C33H49N3O/c1-2-3-4-5-6-7-8-9-10-19-28-36-31-23-17-16-22-30(31)35-32(36)24-15-12-18-27-34-33(37)26-25-29-20-13-11-14-21-29/h11,13-14,16-17,20-23H,2-10,12,15,18-19,24-28H2,1H3,(H,34,37)
InChIKeyWGJORKAHFTWVMA-UHFFFAOYSA-N
MW503.78 g/mol
LogP8.42
Rot. Bonds20

About N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide

N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide (PubChem CID 16992525) has the molecular formula C33H49N3O and a molecular weight of 503.78 g/mol. Its IUPAC name is N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
PubChem CID16992525
Molecular FormulaC33H49N3O
Molecular Weight503.78 g/mol
Exact Mass503.39
IUPAC NameN-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide
SMILESCCCCCCCCCCCCn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21
InChIInChI=1S/C33H49N3O/c1-2-3-4-5-6-7-8-9-10-19-28-36-31-23-17-16-22-30(31)35-32(36)24-15-12-18-27-34-33(37)26-25-29-20-13-11-14-21-29/h11,13-14,16-17,20-23H,2-10,12,15,18-19,24-28H2,1H3,(H,34,37)
InChIKeyWGJORKAHFTWVMA-UHFFFAOYSA-N
XLogP8.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.78
LogP ≤ 58.42
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-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide 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

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-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994305
N-[5-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992616
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992566
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992530
3-phenyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16978263
N-[5-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992610

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide?
The IUPAC name of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide (CID 16992525) is N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide is CCCCCCCCCCCCn1c(CCCCCNC(=O)CCc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide?
The InChIKey is WGJORKAHFTWVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49N3O/c1-2-3-4-5-6-7-8-9-10-19-28-36-31-23-17-16-22-30(31)35-32(36)24-15-12-18-27-34-33(37)26-25-29-20-13-11-14-21-29/h11,13-14,16-17,20-23H,2-10,12,15,18-19,24-28H2,1H3,(H,34,37).
What are the key properties of N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide?
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide has a molecular weight of 503.78 g/mol, XLogP of 8.42, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-3-phenylpropanamide is sourced from PubChem (CID 16992525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).