2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide

C28H31N3O3 — CID 16985556

IUPAC2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCc2nc3ccccc3n2CCOc2ccccc2C)cc1
InChIInChI=1S/C28H31N3O3/c1-21-8-3-6-11-26(21)34-19-18-31-25-10-5-4-9-24(25)30-27(31)12-7-17-29-28(32)20-22-13-15-23(33-2)16-14-22/h3-6,8-11,13-16H,7,12,17-20H2,1-2H3,(H,29,32)
InChIKeyFMYRACFYIXTBPR-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.72
Rot. Bonds11

About 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide

2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16985556) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16985556
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC Name2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
SMILESCOc1ccc(CC(=O)NCCCc2nc3ccccc3n2CCOc2ccccc2C)cc1
InChIInChI=1S/C28H31N3O3/c1-21-8-3-6-11-26(21)34-19-18-31-25-10-5-4-9-24(25)30-27(31)12-7-17-29-28(32)20-22-13-15-23(33-2)16-14-22/h3-6,8-11,13-16H,7,12,17-20H2,1-2H3,(H,29,32)
InChIKeyFMYRACFYIXTBPR-UHFFFAOYSA-N
XLogP4.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.72
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-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979605
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
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985596
N-[5-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993390
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981324
2-(4-chlorophenyl)-N-[5-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993909
2-(4-methoxyphenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979608
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide (CID 16985556) is 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide is COc1ccc(CC(=O)NCCCc2nc3ccccc3n2CCOc2ccccc2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is FMYRACFYIXTBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-21-8-3-6-11-26(21)34-19-18-31-25-10-5-4-9-24(25)30-27(31)12-7-17-29-28(32)20-22-13-15-23(33-2)16-14-22/h3-6,8-11,13-16H,7,12,17-20H2,1-2H3,(H,29,32).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide?
2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 457.57 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16985556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).