N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

C29H33N3O3 — CID 16978543

IUPACN-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(OCCCCn2c(CCNC(=O)COc3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C29H33N3O3/c1-22-14-15-27(23(2)20-22)34-19-9-8-18-32-26-13-7-6-12-25(26)31-28(32)16-17-30-29(33)21-35-24-10-4-3-5-11-24/h3-7,10-15,20H,8-9,16-19,21H2,1-2H3,(H,30,33)
InChIKeyFMBBAAVWZFVPAJ-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.25
Rot. Bonds12

About N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide

N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (PubChem CID 16978543) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
PubChem CID16978543
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
SMILESCc1ccc(OCCCCn2c(CCNC(=O)COc3ccccc3)nc3ccccc32)c(C)c1
InChIInChI=1S/C29H33N3O3/c1-22-14-15-27(23(2)20-22)34-19-9-8-18-32-26-13-7-6-12-25(26)31-28(32)16-17-30-29(33)21-35-24-10-4-3-5-11-24/h3-7,10-15,20H,8-9,16-19,21H2,1-2H3,(H,30,33)
InChIKeyFMBBAAVWZFVPAJ-UHFFFAOYSA-N
XLogP5.25
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.25
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-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975810
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978720
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978697
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978686
2-(3,4-dimethoxyphenyl)-N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979792
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241
2-(4-chlorophenoxy)-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978870
N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977648
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993587

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide (CID 16978543) is N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is Cc1ccc(OCCCCn2c(CCNC(=O)COc3ccccc3)nc3ccccc32)c(C)c1.
What is the InChIKey of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
The InChIKey is FMBBAAVWZFVPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-22-14-15-27(23(2)20-22)34-19-9-8-18-32-26-13-7-6-12-25(26)31-28(32)16-17-30-29(33)21-35-24-10-4-3-5-11-24/h3-7,10-15,20H,8-9,16-19,21H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide?
N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide has a molecular weight of 471.60 g/mol, XLogP of 5.25, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16978543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).