N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide

C29H32ClN3O2 — CID 16989384

IUPACN-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C29H32ClN3O2/c30-24-15-6-9-18-27(24)35-22-12-11-21-33-26-17-8-7-16-25(26)32-28(33)19-5-2-10-20-31-29(34)23-13-3-1-4-14-23/h1,3-4,6-9,13-18H,2,5,10-12,19-22H2,(H,31,34)
InChIKeyJDHOYCFWKLTRHD-UHFFFAOYSA-N
MW490.05 g/mol
LogP6.69
Rot. Bonds13

About N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide

N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989384) has the molecular formula C29H32ClN3O2 and a molecular weight of 490.05 g/mol. Its IUPAC name is N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound NameN-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989384
Molecular FormulaC29H32ClN3O2
Molecular Weight490.05 g/mol
Exact Mass489.22
IUPAC NameN-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
SMILESO=C(NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C29H32ClN3O2/c30-24-15-6-9-18-27(24)35-22-12-11-21-33-26-17-8-7-16-25(26)32-28(33)19-5-2-10-20-31-29(34)23-13-3-1-4-14-23/h1,3-4,6-9,13-18H,2,5,10-12,19-22H2,(H,31,34)
InChIKeyJDHOYCFWKLTRHD-UHFFFAOYSA-N
XLogP6.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide 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

4-bromo-N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991623
4-chloro-N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991435
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992948
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988898
2-chloro-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16982726
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976753
4-fluoro-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991802
N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982290
N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986327
3-bromo-N-[3-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]propyl]benzamide
CID 16983358
N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993567
N-[5-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-chlorophenyl)acetamide
CID 16993865

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989384) is N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide is O=C(NCCCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is JDHOYCFWKLTRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN3O2/c30-24-15-6-9-18-27(24)35-22-12-11-21-33-26-17-8-7-16-25(26)32-28(33)19-5-2-10-20-31-29(34)23-13-3-1-4-14-23/h1,3-4,6-9,13-18H,2,5,10-12,19-22H2,(H,31,34).
What are the key properties of N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide?
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 490.05 g/mol, XLogP of 6.69, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).