2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide

C24H28N4O2 — CID 17005505

IUPAC2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C24H28N4O2/c1-3-26(4-2)23(30)17-28-21-13-9-8-12-20(21)25-24(28)19-14-22(29)27(16-19)15-18-10-6-5-7-11-18/h5-13,19H,3-4,14-17H2,1-2H3
InChIKeyBWHOHDTVBNCFGC-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.42
Rot. Bonds7

About 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide

2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide (PubChem CID 17005505) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
PubChem CID17005505
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C24H28N4O2/c1-3-26(4-2)23(30)17-28-21-13-9-8-12-20(21)25-24(28)19-14-22(29)27(16-19)15-18-10-6-5-7-11-18/h5-13,19H,3-4,14-17H2,1-2H3
InChIKeyBWHOHDTVBNCFGC-UHFFFAOYSA-N
XLogP3.42
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387185
2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387158
2-[2-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387157
ethyl 2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40698686
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 17005510
N-ethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 27407304
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
2-[2-(1-ethyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17002492
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
N,N-dicyclohexyl-2-[2-[1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 17005683
2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 19242790
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-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide (CID 17005505) is 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide?
The InChIKey is BWHOHDTVBNCFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-26(4-2)23(30)17-28-21-13-9-8-12-20(21)25-24(28)19-14-22(29)27(16-19)15-18-10-6-5-7-11-18/h5-13,19H,3-4,14-17H2,1-2H3.
What are the key properties of 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide?
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 17005505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).