4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

C25H24F3N5O — CID 75298627

IUPAC4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCN(Cc1cncn1Cc1ccc(C#N)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C25H24F3N5O/c1-31(16-22-13-30-17-33(22)14-19-7-5-18(12-29)6-8-19)23-9-10-32(24(23)34)15-20-3-2-4-21(11-20)25(26,27)28/h2-8,11,13,17,23H,9-10,14-16H2,1H3
InChIKeyZWXMFDHXKFZGSS-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.05
Rot. Bonds7

About 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile

4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 75298627) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID75298627
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
SMILESCN(Cc1cncn1Cc1ccc(C#N)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C25H24F3N5O/c1-31(16-22-13-30-17-33(22)14-19-7-5-18(12-29)6-8-19)23-9-10-32(24(23)34)15-20-3-2-4-21(11-20)25(26,27)28/h2-8,11,13,17,23H,9-10,14-16H2,1H3
InChIKeyZWXMFDHXKFZGSS-UHFFFAOYSA-N
XLogP4.05
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-[[[1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]-(2-oxoethyl)amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 85302037
4-[[5-[[[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]-(2-piperazin-1-ylethyl)amino]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 142048984
tert-butyl N-[3-[[(3S)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]propyl]carbamate
CID 10918896
4-[[5-[[[(3R)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 142048839
6-amino-N-[3-[[(3R)-1-[(3-chlorophenyl)methyl]-2-oxopyrrolidin-3-yl]-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]amino]propyl]pyridine-3-carboxamide
CID 70232119
4-[[5-[2-[[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 10960344
4-[[5-[[benzyl-(1-phenylpiperidin-4-yl)amino]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 21193233
4-[[5-[[[(R)-(1-benzyl-2-oxopyrrolidin-3-yl)-pyridin-2-ylmethyl]amino]methyl]imidazol-1-yl]methyl]benzonitrile
CID 70232111
4-[[5-[[(5S)-3-[(3-chlorophenyl)methyl]-5-(2-methylsulfonylethyl)-2-oxoimidazolidin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 67643902
4-[[5-[2-[[(3R)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 11004204
1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-1-[(3-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 139942629
4-[[5-[[(5S)-3-[(3-chlorophenyl)methyl]-5-(2-methylsulfonylethyl)-2-oxoimidazolidin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
CID 70199112

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile (CID 75298627) is 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile is CN(Cc1cncn1Cc1ccc(C#N)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is ZWXMFDHXKFZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-31(16-22-13-30-17-33(22)14-19-7-5-18(12-29)6-8-19)23-9-10-32(24(23)34)15-20-3-2-4-21(11-20)25(26,27)28/h2-8,11,13,17,23H,9-10,14-16H2,1H3.
What are the key properties of 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile?
4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 467.50 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[[methyl-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]amino]methyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 75298627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).