2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide

C25H30N4O2 — CID 17005510

IUPAC2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-3-4-14-27(2)24(31)18-29-22-13-9-8-12-21(22)26-25(29)20-15-23(30)28(17-20)16-19-10-6-5-7-11-19/h5-13,20H,3-4,14-18H2,1-2H3
InChIKeyPFYIOSIXMGKGPO-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.81
Rot. Bonds8

About 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide

2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide (PubChem CID 17005510) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
PubChem CID17005510
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)Cn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C25H30N4O2/c1-3-4-14-27(2)24(31)18-29-22-13-9-8-12-21(22)26-25(29)20-15-23(30)28(17-20)16-19-10-6-5-7-11-19/h5-13,20H,3-4,14-18H2,1-2H3
InChIKeyPFYIOSIXMGKGPO-UHFFFAOYSA-N
XLogP3.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[2-[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 19242794
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-diethylacetamide
CID 17005505
1-benzyl-4-(1-heptylbenzimidazol-2-yl)pyrrolidin-2-one
CID 17005433
N-butyl-N-methyl-2-[2-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 16964688
ethyl 2-[2-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40698686
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
N-butyl-2-[2-[1-(4-butylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methylacetamide
CID 17005167
2-[2-[(3R)-1-butyl-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-methyl-N-phenylacetamide
CID 40841095
(4R)-1-benzyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 7136828
(4R)-4-(1-benzylbenzimidazol-2-yl)-1-butylpyrrolidin-2-one
CID 39115868
N-ethyl-2-[2-[(3S)-1-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N-phenylacetamide
CID 27407304

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The IUPAC name of 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide (CID 17005510) is 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide is CCCCN(C)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-butyl-N-methylacetamide?
The InChIKey is PFYIOSIXMGKGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-4-14-27(2)24(31)18-29-22-13-9-8-12-21(22)26-25(29)20-15-23(30)28(17-20)16-19-10-6-5-7-11-19/h5-13,20H,3-4,14-18H2,1-2H3.
What are the key properties of 2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide?
2-[2-(1-benzyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N-butyl-N-methylacetamide has a molecular weight of 418.54 g/mol, XLogP of 3.81, 8 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-butyl-N-methylacetamide is sourced from PubChem (CID 17005510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).