3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C22H19F3N4O — CID 141033978

IUPAC3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESN#Cc1ccc(Cn2cncc2CCC(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)20-4-2-1-3-18(20)12-28-21(30)10-9-19-13-27-15-29(19)14-17-7-5-16(11-26)6-8-17/h1-8,13,15H,9-10,12,14H2,(H,28,30)
InChIKeyKVKCYBRKKACSMS-UHFFFAOYSA-N
MW412.42 g/mol
LogP4.07
Rot. Bonds7

About 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 141033978) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID141033978
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC Name3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESN#Cc1ccc(Cn2cncc2CCC(=O)NCc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C22H19F3N4O/c23-22(24,25)20-4-2-1-3-18(20)12-28-21(30)10-9-19-13-27-15-29(19)14-17-7-5-16(11-26)6-8-17/h1-8,13,15H,9-10,12,14H2,(H,28,30)
InChIKeyKVKCYBRKKACSMS-UHFFFAOYSA-N
XLogP4.07
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide 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

1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3-propyl-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 139942691
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-(propylcarbamothioyl)-N-[(2S)-1-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-yl]acetamide
CID 54129876
N-[1-[benzylcarbamothioyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-methylpropan-2-yl]-2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetamide
CID 142631710
4-[[5-[2-[(2-chlorophenyl)methylamino]ethyl]imidazol-1-yl]methyl]benzonitrile
CID 141033992
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[(2S)-1-[propylcarbamothioyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butan-2-yl]acetamide
CID 142631610
1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-3-(3-ethoxypropyl)-1-[[2-(trifluoromethyl)phenyl]methyl]thiourea
CID 139942622
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[(4-methoxyphenyl)carbamothioyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 139942681
4-[[5-(2-oxopropyl)imidazol-1-yl]methyl]benzonitrile
CID 139898426
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
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
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[(2S)-4-methyl-1-[phenylcarbamothioyl-[[2-(trifluoromethyl)phenyl]methyl]amino]pentan-2-yl]acetamide
CID 142631495
2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetic acid;hydrobromide
CID 70230844

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 141033978) is 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is N#Cc1ccc(Cn2cncc2CCC(=O)NCc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is KVKCYBRKKACSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N4O/c23-22(24,25)20-4-2-1-3-18(20)12-28-21(30)10-9-19-13-27-15-29(19)14-17-7-5-16(11-26)6-8-17/h1-8,13,15H,9-10,12,14H2,(H,28,30).
What are the key properties of 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 412.42 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 141033978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).