N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

C29H33N3O3 — CID 16993390

IUPACN-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
SMILESCOc1ccc(OCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O3/c1-34-24-15-17-25(18-16-24)35-21-20-32-27-13-8-7-12-26(27)31-28(32)14-6-3-9-19-30-29(33)22-23-10-4-2-5-11-23/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,30,33)
InChIKeyJFLJPYKNRQTOMF-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.20
Rot. Bonds13

About N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide

N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (PubChem CID 16993390) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
PubChem CID16993390
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
SMILESCOc1ccc(OCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O3/c1-34-24-15-17-25(18-16-24)35-21-20-32-27-13-8-7-12-26(27)31-28(32)14-6-3-9-19-30-29(33)22-23-10-4-2-5-11-23/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,30,33)
InChIKeyJFLJPYKNRQTOMF-UHFFFAOYSA-N
XLogP5.20
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.20
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

2-(4-methoxyphenyl)-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16994015
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994029
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994363
2-phenyl-N-[5-[1-[3-(4-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993414
2-phenyl-N-[5-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993443
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994084
N-[5-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993436
2-(4-chlorophenyl)-N-[5-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993877
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992574
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The IUPAC name of N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide (CID 16993390) is N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is COc1ccc(OCCn2c(CCCCCNC(=O)Cc3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
The InChIKey is JFLJPYKNRQTOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-34-24-15-17-25(18-16-24)35-21-20-32-27-13-8-7-12-26(27)31-28(32)14-6-3-9-19-30-29(33)22-23-10-4-2-5-11-23/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-22H2,1H3,(H,30,33).
What are the key properties of N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide?
N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide has a molecular weight of 471.60 g/mol, XLogP of 5.20, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide is sourced from PubChem (CID 16993390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).