4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole

C25H18Cl2F3N3O2 — CID 58231257

IUPAC4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole
SMILESO=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H18Cl2F3N3O2/c26-19-8-11-21(22(27)13-19)23-15-32(14-17-3-9-20(10-4-17)33(34)35)24(31-23)12-5-16-1-6-18(7-2-16)25(28,29)30/h1-4,6-11,13,15H,5,12,14H2
InChIKeyDTVIAKDBHRUECX-UHFFFAOYSA-N
MW520.34 g/mol
LogP7.62
Rot. Bonds7

About 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole

4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole (PubChem CID 58231257) has the molecular formula C25H18Cl2F3N3O2 and a molecular weight of 520.34 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole
PubChem CID58231257
Molecular FormulaC25H18Cl2F3N3O2
Molecular Weight520.34 g/mol
Exact Mass519.07
IUPAC Name4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole
SMILESO=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C25H18Cl2F3N3O2/c26-19-8-11-21(22(27)13-19)23-15-32(14-17-3-9-20(10-4-17)33(34)35)24(31-23)12-5-16-1-6-18(7-2-16)25(28,29)30/h1-4,6-11,13,15H,5,12,14H2
InChIKeyDTVIAKDBHRUECX-UHFFFAOYSA-N
XLogP7.62
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.34
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole (CID 58231257) is 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole is O=[N+]([O-])c1ccc(Cn2cc(-c3ccc(Cl)cc3Cl)nc2CCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole?
The InChIKey is DTVIAKDBHRUECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2F3N3O2/c26-19-8-11-21(22(27)13-19)23-15-32(14-17-3-9-20(10-4-17)33(34)35)24(31-23)12-5-16-1-6-18(7-2-16)25(28,29)30/h1-4,6-11,13,15H,5,12,14H2.
What are the key properties of 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole?
4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole has a molecular weight of 520.34 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazole is sourced from PubChem (CID 58231257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).