N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

C24H30ClN3O2 — CID 16969422

IUPACN-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O2/c1-17(26-23(29)24(2,3)4)22-27-20-9-5-6-10-21(20)28(22)15-7-8-16-30-19-13-11-18(25)12-14-19/h5-6,9-14,17H,7-8,15-16H2,1-4H3,(H,26,29)
InChIKeyFPENALMVSPUHFN-UHFFFAOYSA-N
MW427.98 g/mol
LogP5.77
Rot. Bonds8

About N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide

N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 16969422) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID16969422
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1
InChIInChI=1S/C24H30ClN3O2/c1-17(26-23(29)24(2,3)4)22-27-20-9-5-6-10-21(20)28(22)15-7-8-16-30-19-13-11-18(25)12-14-19/h5-6,9-14,17H,7-8,15-16H2,1-4H3,(H,26,29)
InChIKeyFPENALMVSPUHFN-UHFFFAOYSA-N
XLogP5.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.98
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide 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-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969366
2,2-dimethyl-N-[1-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
CID 16969396
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
N-[1-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969371
2-(4-chlorophenyl)-N-[1-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16973111
2-(4-chlorophenyl)-N-[1-[1-(4-phenoxybutyl)benzimidazol-2-yl]ethyl]acetamide
CID 16973092
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968787
N-[1-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969370
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969373
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-3-chlorobenzamide
CID 17010530
2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide (CID 16969422) is N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is CC(NC(=O)C(C)(C)C)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is FPENALMVSPUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-17(26-23(29)24(2,3)4)22-27-20-9-5-6-10-21(20)28(22)15-7-8-16-30-19-13-11-18(25)12-14-19/h5-6,9-14,17H,7-8,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide?
N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 427.98 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 16969422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).