2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

C29H30ClN3O2 — CID 3948128

IUPAC2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCOCN(C(=O)Cn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21)c1c(C)cccc1CC
InChIInChI=1S/C29H30ClN3O2/c1-4-23-10-8-9-21(3)29(23)33(20-35-5-2)28(34)19-32-26-12-7-6-11-25(26)31-27(32)18-15-22-13-16-24(30)17-14-22/h6-18H,4-5,19-20H2,1-3H3
InChIKeyRHWSCNSWMPQVJJ-UHFFFAOYSA-N
MW488.03 g/mol
LogP6.76
Rot. Bonds9

About 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide

2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide (PubChem CID 3948128) has the molecular formula C29H30ClN3O2 and a molecular weight of 488.03 g/mol. Its IUPAC name is 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
PubChem CID3948128
Molecular FormulaC29H30ClN3O2
Molecular Weight488.03 g/mol
Exact Mass487.20
IUPAC Name2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
SMILESCCOCN(C(=O)Cn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21)c1c(C)cccc1CC
InChIInChI=1S/C29H30ClN3O2/c1-4-23-10-8-9-21(3)29(23)33(20-35-5-2)28(34)19-32-26-12-7-6-11-25(26)31-27(32)18-15-22-13-16-24(30)17-14-22/h6-18H,4-5,19-20H2,1-3H3
InChIKeyRHWSCNSWMPQVJJ-UHFFFAOYSA-N
XLogP6.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
CID 18877755
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 3282513
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-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 18811279
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4671721
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 4037071
2-[2-[(E)-2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-1-morpholin-4-ylethanone
CID 16999857
2-[2-(4-chlorophenyl)ethenyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 3822868
2-[N-(ethoxymethyl)-2-ethyl-6-methylanilino]-2-oxoethanesulfonic acid
CID 6426848

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The IUPAC name of 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide (CID 3948128) is 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide is CCOCN(C(=O)Cn1c(C=Cc2ccc(Cl)cc2)nc2ccccc21)c1c(C)cccc1CC.
What is the InChIKey of 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide?
The InChIKey is RHWSCNSWMPQVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30ClN3O2/c1-4-23-10-8-9-21(3)29(23)33(20-35-5-2)28(34)19-32-26-12-7-6-11-25(26)31-27(32)18-15-22-13-16-24(30)17-14-22/h6-18H,4-5,19-20H2,1-3H3.
What are the key properties of 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide?
2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide has a molecular weight of 488.03 g/mol, XLogP of 6.76, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide is sourced from PubChem (CID 3948128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).