N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide

C30H33N3O2 — CID 3282513

IUPACN-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c(C=Cc2ccccc2)nc2ccccc21)C(C)COC
InChIInChI=1S/C30H33N3O2/c1-5-25-15-11-12-22(2)30(25)33(23(3)21-35-4)29(34)20-32-27-17-10-9-16-26(27)31-28(32)19-18-24-13-7-6-8-14-24/h6-19,23H,5,20-21H2,1-4H3
InChIKeyJSWZUFVQQWBTTP-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.15
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide (PubChem CID 3282513) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
PubChem CID3282513
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c(C=Cc2ccccc2)nc2ccccc21)C(C)COC
InChIInChI=1S/C30H33N3O2/c1-5-25-15-11-12-22(2)30(25)33(23(3)21-35-4)29(34)20-32-27-17-10-9-16-26(27)31-28(32)19-18-24-13-7-6-8-14-24/h6-19,23H,5,20-21H2,1-4H3
InChIKeyJSWZUFVQQWBTTP-UHFFFAOYSA-N
XLogP6.15
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butylbenzimidazol-1-yl)-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 5089305
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]benzimidazol-1-yl]-N-[(2R)-1-methoxypropan-2-yl]-N-phenylacetamide
CID 40837749
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 18811211
N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 51681731
2-[2-[2-(4-chlorophenyl)ethenyl]benzimidazol-1-yl]-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 3948128
N-[2-[1-[2-[2-ethyl-N-(1-methoxypropan-2-yl)-6-methylanilino]-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 18888822
2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 18811115
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4754524
N-(2-ethyl-6-methylphenyl)-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 43842080
2-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]-1-phenylethanone
CID 16999755
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-(1-phenoxyethyl)benzimidazol-1-yl]acetamide
CID 18877755
1-[4-(2,6-dimethylphenoxy)butyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 16999604

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide (CID 3282513) is N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide is CCc1cccc(C)c1N(C(=O)Cn1c(C=Cc2ccccc2)nc2ccccc21)C(C)COC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
The InChIKey is JSWZUFVQQWBTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-5-25-15-11-12-22(2)30(25)33(23(3)21-35-4)29(34)20-32-27-17-10-9-16-26(27)31-28(32)19-18-24-13-7-6-8-14-24/h6-19,23H,5,20-21H2,1-4H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide has a molecular weight of 467.61 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 3282513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).