2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

C29H33N3O4 — CID 16978656

IUPAC2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCCOc1ccccc1OCCn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C29H33N3O4/c1-4-34-25-11-7-8-12-26(25)35-18-17-32-24-10-6-5-9-23(24)31-28(32)15-16-30-29(33)20-36-27-19-21(2)13-14-22(27)3/h5-14,19H,4,15-18,20H2,1-3H3,(H,30,33)
InChIKeyVZOGAIGUKDVISU-UHFFFAOYSA-N
MW487.60 g/mol
LogP4.87
Rot. Bonds12

About 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16978656) 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-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16978656
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCCOc1ccccc1OCCn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C29H33N3O4/c1-4-34-25-11-7-8-12-26(25)35-18-17-32-24-10-6-5-9-23(24)31-28(32)15-16-30-29(33)20-36-27-19-21(2)13-14-22(27)3/h5-14,19H,4,15-18,20H2,1-3H3,(H,30,33)
InChIKeyVZOGAIGUKDVISU-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

Analyze 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978654
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974430
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976400
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16974588
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979605
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-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978700
2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978639
N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978720
2-(2,5-dimethylphenoxy)-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993076

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16978656) is 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is CCOc1ccccc1OCCn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is VZOGAIGUKDVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-4-34-25-11-7-8-12-26(25)35-18-17-32-24-10-6-5-9-23(24)31-28(32)15-16-30-29(33)20-36-27-19-21(2)13-14-22(27)3/h5-14,19H,4,15-18,20H2,1-3H3,(H,30,33).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]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-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16978656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).