N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide

C32H36N4O3 — CID 51681731

IUPACN-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21)[C@@H](C)COC
InChIInChI=1S/C32H36N4O3/c1-5-24-13-11-12-22(2)31(24)36(23(3)21-39-4)30(38)20-35-28-17-10-9-16-27(28)33-32(35)25-18-29(37)34(19-25)26-14-7-6-8-15-26/h6-17,23,25H,5,18-21H2,1-4H3/t23-,25-/m0/s1
InChIKeyLYNBYBURVSIYQQ-ZCYQVOJMSA-N
MW524.67 g/mol
LogP5.50
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide (PubChem CID 51681731) has the molecular formula C32H36N4O3 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide
PubChem CID51681731
Molecular FormulaC32H36N4O3
Molecular Weight524.67 g/mol
Exact Mass524.28
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21)[C@@H](C)COC
InChIInChI=1S/C32H36N4O3/c1-5-24-13-11-12-22(2)31(24)36(23(3)21-39-4)30(38)20-35-28-17-10-9-16-27(28)33-32(35)25-18-29(37)34(19-25)26-14-7-6-8-15-26/h6-17,23,25H,5,18-21H2,1-4H3/t23-,25-/m0/s1
InChIKeyLYNBYBURVSIYQQ-ZCYQVOJMSA-N
XLogP5.50
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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-(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)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 3282513
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4671721
2-[2-[(3R)-1-(2,6-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 26864431
2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 17005169
N,N-diethyl-2-[2-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005010
N,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of 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) is N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide is CCc1cccc(C)c1N(C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21)[C@@H](C)COC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The InChIKey is LYNBYBURVSIYQQ-ZCYQVOJMSA-N. The full InChI is InChI=1S/C32H36N4O3/c1-5-24-13-11-12-22(2)31(24)36(23(3)21-39-4)30(38)20-35-28-17-10-9-16-27(28)33-32(35)25-18-29(37)34(19-25)26-14-7-6-8-15-26/h6-17,23,25H,5,18-21H2,1-4H3/t23-,25-/m0/s1.
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide has a molecular weight of 524.67 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 51681731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).