N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide

C28H30ClN3O3 — CID 16986327

IUPACN-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl
InChIInChI=1S/C28H30ClN3O3/c29-23-13-4-7-16-26(23)34-20-9-8-19-32-25-15-6-5-14-24(25)31-27(32)17-10-18-30-28(33)21-35-22-11-2-1-3-12-22/h1-7,11-16H,8-10,17-21H2,(H,30,33)
InChIKeyDCUUKYRTFBKVIL-UHFFFAOYSA-N
MW492.02 g/mol
LogP5.68
Rot. Bonds13

About N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide

N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide (PubChem CID 16986327) has the molecular formula C28H30ClN3O3 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
PubChem CID16986327
Molecular FormulaC28H30ClN3O3
Molecular Weight492.02 g/mol
Exact Mass491.20
IUPAC NameN-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl
InChIInChI=1S/C28H30ClN3O3/c29-23-13-4-7-16-26(23)34-20-9-8-19-32-25-15-6-5-14-24(25)31-27(32)17-10-18-30-28(33)21-35-22-11-2-1-3-12-22/h1-7,11-16H,8-10,17-21H2,(H,30,33)
InChIKeyDCUUKYRTFBKVIL-UHFFFAOYSA-N
XLogP5.68
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.02
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992948
N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978497
2-phenoxy-N-[3-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16986322
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[3-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986079
2-(4-chlorophenoxy)-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993260
2-(4-chlorophenoxy)-N-[2-[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978821
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[5-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989384
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The IUPAC name of N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide (CID 16986327) is N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCCCc1nc2ccccc2n1CCCCOc1ccccc1Cl.
What is the InChIKey of N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
The InChIKey is DCUUKYRTFBKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O3/c29-23-13-4-7-16-26(23)34-20-9-8-19-32-25-15-6-5-14-24(25)31-27(32)17-10-18-30-28(33)21-35-22-11-2-1-3-12-22/h1-7,11-16H,8-10,17-21H2,(H,30,33).
What are the key properties of N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide?
N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide has a molecular weight of 492.02 g/mol, XLogP of 5.68, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide is sourced from PubChem (CID 16986327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).