N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide

C22H26ClN3O2 — CID 16974464

IUPACN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C22H26ClN3O2/c1-2-8-22(27)24-14-13-21-25-18-10-4-5-11-19(18)26(21)15-7-16-28-20-12-6-3-9-17(20)23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,27)
InChIKeyNHPBXQVRJBMWOP-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.62
Rot. Bonds10

About N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide

N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16974464) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16974464
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1Cl
InChIInChI=1S/C22H26ClN3O2/c1-2-8-22(27)24-14-13-21-25-18-10-4-5-11-19(18)26(21)15-7-16-28-20-12-6-3-9-17(20)23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,27)
InChIKeyNHPBXQVRJBMWOP-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide 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-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975007
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986079
N-[2-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979182
N-[2-[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974489
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976753
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978497
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]cyclopenta-1,3-diene-1-carboxamide
CID 139033693
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
3-bromo-N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977819
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide (CID 16974464) is N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccccc1Cl.
What is the InChIKey of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is NHPBXQVRJBMWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-2-8-22(27)24-14-13-21-25-18-10-4-5-11-19(18)26(21)15-7-16-28-20-12-6-3-9-17(20)23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,24,27).
What are the key properties of N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 399.92 g/mol, XLogP of 4.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16974464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).