N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

C33H38N4O3 — CID 4754524

IUPACN-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21)C(C)COC
InChIInChI=1S/C33H38N4O3/c1-6-25-11-9-10-23(3)32(25)37(24(4)21-40-5)31(39)20-36-29-13-8-7-12-28(29)34-33(36)26-18-30(38)35(19-26)27-16-14-22(2)15-17-27/h7-17,24,26H,6,18-21H2,1-5H3
InChIKeyZMTXOQOQJDUSQE-UHFFFAOYSA-N
MW538.69 g/mol
LogP5.80
Rot. Bonds9

About N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide

N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide (PubChem CID 4754524) has the molecular formula C33H38N4O3 and a molecular weight of 538.69 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
PubChem CID4754524
Molecular FormulaC33H38N4O3
Molecular Weight538.69 g/mol
Exact Mass538.29
IUPAC NameN-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
SMILESCCc1cccc(C)c1N(C(=O)Cn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21)C(C)COC
InChIInChI=1S/C33H38N4O3/c1-6-25-11-9-10-23(3)32(25)37(24(4)21-40-5)31(39)20-36-29-13-8-7-12-28(29)34-33(36)26-18-30(38)35(19-26)27-16-14-22(2)15-17-27/h7-17,24,26H,6,18-21H2,1-5H3
InChIKeyZMTXOQOQJDUSQE-UHFFFAOYSA-N
XLogP5.80
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.69
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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,N-diethyl-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17004510
ethyl 2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40773738
N-methyl-2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841159
N-methyl-2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 40841158
(4S)-1-(4-methylphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7011305
2-[2-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 42387139
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-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005010
N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)-2-[2-[5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 18811279

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The IUPAC name of 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) is N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is CCc1cccc(C)c1N(C(=O)Cn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21)C(C)COC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
The InChIKey is ZMTXOQOQJDUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O3/c1-6-25-11-9-10-23(3)32(25)37(24(4)21-40-5)31(39)20-36-29-13-8-7-12-28(29)34-33(36)26-18-30(38)35(19-26)27-16-14-22(2)15-17-27/h7-17,24,26H,6,18-21H2,1-5H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide?
N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide has a molecular weight of 538.69 g/mol, XLogP of 5.80, 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-(1-methoxypropan-2-yl)-2-[2-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4754524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).