2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide

C29H33N3O4 — CID 16978697

IUPAC2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(OCCCn2c(CCNC(=O)COc3cc(C)ccc3C)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O4/c1-21-9-10-22(2)27(19-21)36-20-29(33)30-16-15-28-31-25-7-4-5-8-26(25)32(28)17-6-18-35-24-13-11-23(34-3)12-14-24/h4-5,7-14,19H,6,15-18,20H2,1-3H3,(H,30,33)
InChIKeyOAEDXVAHMLVONI-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.87
Rot. Bonds12

About 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16978697) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16978697
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccc(OCCCn2c(CCNC(=O)COc3cc(C)ccc3C)nc3ccccc32)cc1
InChIInChI=1S/C29H33N3O4/c1-21-9-10-22(2)27(19-21)36-20-29(33)30-16-15-28-31-25-7-4-5-8-26(25)32(28)17-6-18-35-24-13-11-23(34-3)12-14-24/h4-5,7-14,19H,6,15-18,20H2,1-3H3,(H,30,33)
InChIKeyOAEDXVAHMLVONI-UHFFFAOYSA-N
XLogP4.87
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978700
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-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978686
2-(2,5-dimethylphenoxy)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993088
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 16971317
N-[3-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16986657
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979605
2-(2,5-dimethylphenoxy)-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16986572
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978684
N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979146
2-(2,5-dimethylphenoxy)-N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971352

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide (CID 16978697) is 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccc(OCCCn2c(CCNC(=O)COc3cc(C)ccc3C)nc3ccccc32)cc1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is OAEDXVAHMLVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-21-9-10-22(2)27(19-21)36-20-29(33)30-16-15-28-31-25-7-4-5-8-26(25)32(28)17-6-18-35-24-13-11-23(34-3)12-14-24/h4-5,7-14,19H,6,15-18,20H2,1-3H3,(H,30,33).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 487.60 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16978697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).