2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

C34H40N4O3 — CID 18811115

IUPAC2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21)C(C)COC
InChIInChI=1S/C34H40N4O3/c1-7-26-12-10-11-24(4)33(26)38(25(5)21-41-6)32(40)20-37-30-14-9-8-13-29(30)35-34(37)27-18-31(39)36(19-27)28-16-22(2)15-23(3)17-28/h8-17,25,27H,7,18-21H2,1-6H3
InChIKeyUPNVMCKZUYBACY-UHFFFAOYSA-N
MW552.72 g/mol
LogP6.11
Rot. Bonds9

About 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide

2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 18811115) has the molecular formula C34H40N4O3 and a molecular weight of 552.72 g/mol. Its IUPAC name is 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID18811115
Molecular FormulaC34H40N4O3
Molecular Weight552.72 g/mol
Exact Mass552.31
IUPAC Name2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21)C(C)COC
InChIInChI=1S/C34H40N4O3/c1-7-26-12-10-11-24(4)33(26)38(25(5)21-41-6)32(40)20-37-30-14-9-8-13-29(30)35-34(37)27-18-31(39)36(19-27)28-16-22(2)15-23(3)17-28/h8-17,25,27H,7,18-21H2,1-6H3
InChIKeyUPNVMCKZUYBACY-UHFFFAOYSA-N
XLogP6.11
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 56.11
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)-N-[(2S)-1-methoxypropan-2-yl]-2-[2-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 51681731
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
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 4671721
N,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 18811279
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-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 3282513
(4S)-1-(3,5-dimethylphenyl)-4-(1-ethylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136839
(4R)-1-(3,5-dimethylphenyl)-4-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7080608
N,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 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) is 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide is CCc1cccc(C)c1N(C(=O)Cn1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21)C(C)COC.
What is the InChIKey of 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is UPNVMCKZUYBACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O3/c1-7-26-12-10-11-24(4)33(26)38(25(5)21-41-6)32(40)20-37-30-14-9-8-13-29(30)35-34(37)27-18-31(39)36(19-27)28-16-22(2)15-23(3)17-28/h8-17,25,27H,7,18-21H2,1-6H3.
What are the key properties of 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide?
2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 552.72 g/mol, XLogP of 6.11, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(3,5-dimethylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 18811115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).