2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile

C23H24N4O — CID 69031716

IUPAC2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile
SMILESCCCC1CC(=O)N(Cn2c(Cc3ccccc3)nc3cc(C#N)ccc32)C1
InChIInChI=1S/C23H24N4O/c1-2-6-19-13-23(28)26(15-19)16-27-21-10-9-18(14-24)11-20(21)25-22(27)12-17-7-4-3-5-8-17/h3-5,7-11,19H,2,6,12-13,15-16H2,1H3
InChIKeyGIQDTXZPYMQHCP-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.10
Rot. Bonds6

About 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile

2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile (PubChem CID 69031716) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile
PubChem CID69031716
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile
SMILESCCCC1CC(=O)N(Cn2c(Cc3ccccc3)nc3cc(C#N)ccc32)C1
InChIInChI=1S/C23H24N4O/c1-2-6-19-13-23(28)26(15-19)16-27-21-10-9-18(14-24)11-20(21)25-22(27)12-17-7-4-3-5-8-17/h3-5,7-11,19H,2,6,12-13,15-16H2,1H3
InChIKeyGIQDTXZPYMQHCP-UHFFFAOYSA-N
XLogP4.10
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile?
The IUPAC name of 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile (CID 69031716) is 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile?
The canonical SMILES for 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile is CCCC1CC(=O)N(Cn2c(Cc3ccccc3)nc3cc(C#N)ccc32)C1.
What is the InChIKey of 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile?
The InChIKey is GIQDTXZPYMQHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-2-6-19-13-23(28)26(15-19)16-27-21-10-9-18(14-24)11-20(21)25-22(27)12-17-7-4-3-5-8-17/h3-5,7-11,19H,2,6,12-13,15-16H2,1H3.
What are the key properties of 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile?
2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile has a molecular weight of 372.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 69031716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).