N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide

C29H33N3O3 — CID 18877755

IUPACN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
SMILESCCOCN(C(=O)Cn1c(C(C)Oc2ccccc2)nc2ccccc21)c1c(C)cccc1CC
InChIInChI=1S/C29H33N3O3/c1-5-23-14-12-13-21(3)28(23)32(20-34-6-2)27(33)19-31-26-18-11-10-17-25(26)30-29(31)22(4)35-24-15-8-7-9-16-24/h7-18,22H,5-6,19-20H2,1-4H3
InChIKeyKEDASJXHOINKFC-UHFFFAOYSA-N
MW471.60 g/mol
LogP6.07
Rot. Bonds10

About N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide (PubChem CID 18877755) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
PubChem CID18877755
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
SMILESCCOCN(C(=O)Cn1c(C(C)Oc2ccccc2)nc2ccccc21)c1c(C)cccc1CC
InChIInChI=1S/C29H33N3O3/c1-5-23-14-12-13-21(3)28(23)32(20-34-6-2)27(33)19-31-26-18-11-10-17-25(26)30-29(31)22(4)35-24-15-8-7-9-16-24/h7-18,22H,5-6,19-20H2,1-4H3
InChIKeyKEDASJXHOINKFC-UHFFFAOYSA-N
XLogP6.07
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 2904617
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 4610410
2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 3738589
2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 3948128
N-methyl-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]-N-phenylacetamide
CID 16998881
propan-2-yl 2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetate
CID 16998895
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4671721
1-ethyl-2-(1-phenoxyethyl)benzimidazole
CID 2984876
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 18811279
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 18811211
2,2-dichloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 154731362
2-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 16999203

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide (CID 18877755) is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide is CCOCN(C(=O)Cn1c(C(C)Oc2ccccc2)nc2ccccc21)c1c(C)cccc1CC.
What is the InChIKey of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide?
The InChIKey is KEDASJXHOINKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-5-23-14-12-13-21(3)28(23)32(20-34-6-2)27(33)19-31-26-18-11-10-17-25(26)30-29(31)22(4)35-24-15-8-7-9-16-24/h7-18,22H,5-6,19-20H2,1-4H3.
What are the key properties of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide?
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide has a molecular weight of 471.60 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 18877755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).