N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

C24H24F3N5O — CID 54572822

IUPACN-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESC[C@@H](CN)N(Cc1ccccc1C(F)(F)F)C(=O)Cc1nccn1Cc1ccc(C#N)cc1
InChIInChI=1S/C24H24F3N5O/c1-17(13-28)32(16-20-4-2-3-5-21(20)24(25,26)27)23(33)12-22-30-10-11-31(22)15-19-8-6-18(14-29)7-9-19/h2-11,17H,12-13,15-16,28H2,1H3/t17-/m0/s1
InChIKeyZYNCPBAXWDETFL-KRWDZBQOSA-N
MW455.48 g/mol
LogP3.74
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide

N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 54572822) has the molecular formula C24H24F3N5O and a molecular weight of 455.48 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID54572822
Molecular FormulaC24H24F3N5O
Molecular Weight455.48 g/mol
Exact Mass455.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
SMILESC[C@@H](CN)N(Cc1ccccc1C(F)(F)F)C(=O)Cc1nccn1Cc1ccc(C#N)cc1
InChIInChI=1S/C24H24F3N5O/c1-17(13-28)32(16-20-4-2-3-5-21(20)24(25,26)27)23(33)12-22-30-10-11-31(22)15-19-8-6-18(14-29)7-9-19/h2-11,17H,12-13,15-16,28H2,1H3/t17-/m0/s1
InChIKeyZYNCPBAXWDETFL-KRWDZBQOSA-N
XLogP3.74
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide 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-[[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561544
1-[(2S)-1-amino-4-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-oxo-2-propan-2-ylbutyl]-3-propyl-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 154449862
1-[(2S,3S)-1-amino-2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-3-methylpentyl]-3-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 162000599
4-[[2-(ethylaminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 55048804
1-[(2S)-1-amino-2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-4-methylpentyl]-3-(4-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 159259938
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
1-[(2S,3S)-1-amino-2-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-3-methylpentyl]-3-(2-phenylethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 157096408
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-(propylcarbamothioyl)-N-[(2S)-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]acetamide
CID 54129876
1-[(2S)-1-amino-4-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-3-oxo-2-propan-2-ylbutyl]-3-(2-methoxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 154449861
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]-N-[(2S)-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]acetamide
CID 57216408
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]benzonitrile
CID 82561404
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[(2S)-1-[(4-methylphenyl)carbamothioyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-yl]acetamide
CID 142631406

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide (CID 54572822) is N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is C[C@@H](CN)N(Cc1ccccc1C(F)(F)F)C(=O)Cc1nccn1Cc1ccc(C#N)cc1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is ZYNCPBAXWDETFL-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24F3N5O/c1-17(13-28)32(16-20-4-2-3-5-21(20)24(25,26)27)23(33)12-22-30-10-11-31(22)15-19-8-6-18(14-29)7-9-19/h2-11,17H,12-13,15-16,28H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide?
N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 455.48 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-[1-[(4-cyanophenyl)methyl]imidazol-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 54572822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).