N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide

C22H26ClN3O2 — CID 16968787

IUPACN-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-3-7-21(27)24-16(2)22-25-19-8-4-5-9-20(19)26(22)14-6-15-28-18-12-10-17(23)11-13-18/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,27)
InChIKeyQGWMLBPJYLRILR-UHFFFAOYSA-N
MW399.92 g/mol
LogP5.14
Rot. Bonds9

About N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide

N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 16968787) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID16968787
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-3-7-21(27)24-16(2)22-25-19-8-4-5-9-20(19)26(22)14-6-15-28-18-12-10-17(23)11-13-18/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,27)
InChIKeyQGWMLBPJYLRILR-UHFFFAOYSA-N
XLogP5.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.92
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]acetamide
CID 16971885
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968171
N-[1-[1-[3-(4-chloro-3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968785
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-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
2-(4-chlorophenoxy)-N-[1-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16971935
2-(4-chlorophenoxy)-N-[1-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16971996
N-[1-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969422
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009863
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16969366

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide (CID 16968787) is N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NC(C)c1nc2ccccc2n1CCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is QGWMLBPJYLRILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-3-7-21(27)24-16(2)22-25-19-8-4-5-9-20(19)26(22)14-6-15-28-18-12-10-17(23)11-13-18/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide?
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 399.92 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 16968787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).