4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile

C24H25N5O — CID 10960344

IUPAC4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2CCN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1
InChIKeyOVIRLMBMKPLLBQ-HSZRJFAPSA-N
MW399.50 g/mol
LogP2.74
Rot. Bonds8

About 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile

4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 10960344) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID10960344
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2cncc2CCN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1
InChIKeyOVIRLMBMKPLLBQ-HSZRJFAPSA-N
XLogP2.74
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile (CID 10960344) is 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2cncc2CCN[C@@H]2CCN(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is OVIRLMBMKPLLBQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25N5O/c25-14-19-6-8-21(9-7-19)17-29-18-26-15-22(29)10-12-27-23-11-13-28(24(23)30)16-20-4-2-1-3-5-20/h1-9,15,18,23,27H,10-13,16-17H2/t23-/m1/s1.
What are the key properties of 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile?
4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 399.50 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 10960344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).