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

C28H31N3O3 — CID 16979605

IUPACN-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C28H31N3O3/c1-20-8-9-21(2)26(18-20)34-17-16-31-25-7-5-4-6-24(25)30-27(31)14-15-29-28(32)19-22-10-12-23(33-3)13-11-22/h4-13,18H,14-17,19H2,1-3H3,(H,29,32)
InChIKeyROTBQYGOKFJIDS-UHFFFAOYSA-N
MW457.57 g/mol
LogP4.64
Rot. Bonds10

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

N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16979605) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID16979605
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)cc1
InChIInChI=1S/C28H31N3O3/c1-20-8-9-21(2)26(18-20)34-17-16-31-25-7-5-4-6-24(25)30-27(31)14-15-29-28(32)19-22-10-12-23(33-3)13-11-22/h4-13,18H,14-17,19H2,1-3H3,(H,29,32)
InChIKeyROTBQYGOKFJIDS-UHFFFAOYSA-N
XLogP4.64
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16985556
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978697
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974430
2-(4-methoxyphenyl)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979608
2-(4-methoxyphenyl)-N-[2-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979669
N-[2-[1-[3-(2,5-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979146
2-(4-methoxyphenyl)-N-[3-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985616
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978656
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
2-(4-chlorophenyl)-N-[3-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985453
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-(4-methoxyphenyl)acetamide
CID 16994029

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide (CID 16979605) is N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCCc2nc3ccccc3n2CCOc2cc(C)ccc2C)cc1.
What is the InChIKey of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is ROTBQYGOKFJIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-20-8-9-21(2)26(18-20)34-17-16-31-25-7-5-4-6-24(25)30-27(31)14-15-29-28(32)19-22-10-12-23(33-3)13-11-22/h4-13,18H,14-17,19H2,1-3H3,(H,29,32).
What are the key properties of N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide?
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 457.57 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16979605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).