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

C32H33N3O2 — CID 4610410

IUPACN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
SMILESCCOCN(C(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21)c1c(C)cccc1CC
InChIInChI=1S/C32H33N3O2/c1-4-24-14-10-12-23(3)32(24)35(22-37-5-2)31(36)21-34-29-19-9-8-18-28(29)33-30(34)20-26-16-11-15-25-13-6-7-17-27(25)26/h6-19H,4-5,20-22H2,1-3H3
InChIKeyYAQZZSKONXTLBE-UHFFFAOYSA-N
MW491.64 g/mol
LogP6.68
Rot. Bonds9

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

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 4610410) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
PubChem CID4610410
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC NameN-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
SMILESCCOCN(C(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21)c1c(C)cccc1CC
InChIInChI=1S/C32H33N3O2/c1-4-24-14-10-12-23(3)32(24)35(22-37-5-2)31(36)21-34-29-19-9-8-18-28(29)33-30(34)20-26-16-11-15-25-13-6-7-17-27(25)26/h6-19H,4-5,20-22H2,1-3H3
InChIKeyYAQZZSKONXTLBE-UHFFFAOYSA-N
XLogP6.68
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]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

N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 2904617
2-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 3738589
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
CID 18877755
2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 3948128
N-ethyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033441
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4671721
N-(2,6-diethylphenyl)-N-(methoxymethyl)-2-[2-[(4-methoxyphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 23905961
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-butyl-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide
CID 17033393
2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 5089305
N-(3-ethoxypropyl)-2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032388
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
CID 6426848

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide (CID 4610410) is N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide is CCOCN(C(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21)c1c(C)cccc1CC.
What is the InChIKey of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is YAQZZSKONXTLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-4-24-14-10-12-23(3)32(24)35(22-37-5-2)31(36)21-34-29-19-9-8-18-28(29)33-30(34)20-26-16-11-15-25-13-6-7-17-27(25)26/h6-19H,4-5,20-22H2,1-3H3.
What are the key properties of N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide?
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 491.64 g/mol, XLogP of 6.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(naphthalen-1-ylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4610410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).