5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole

C21H14ClN3O2 — CID 1355364

IUPAC5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C21H14ClN3O2/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)23-21(24-20)17-8-4-5-9-18(17)25(26)27/h1-13H,(H,23,24)
InChIKeyFGOIMVFSJPGQBG-UHFFFAOYSA-N
MW375.82 g/mol
LogP5.97
Rot. Bonds4

About 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole

5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole (PubChem CID 1355364) has the molecular formula C21H14ClN3O2 and a molecular weight of 375.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole
PubChem CID1355364
Molecular FormulaC21H14ClN3O2
Molecular Weight375.82 g/mol
Exact Mass375.08
IUPAC Name5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole
SMILESO=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C21H14ClN3O2/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)23-21(24-20)17-8-4-5-9-18(17)25(26)27/h1-13H,(H,23,24)
InChIKeyFGOIMVFSJPGQBG-UHFFFAOYSA-N
XLogP5.97
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.82
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
4-[4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
CID 10664282
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 58038056
2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole;phosphorosobenzene
CID 174850878
2-[2-(2,4-dichlorophenyl)-5-phenyl-1H-imidazol-4-yl]-7-nitrofluoren-9-one
CID 3117023
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
2-(4-chlorophenyl)-5-nitro-4-phenyl-1H-benzimidazole
CID 67701808
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
2-(4-bromo-3-nitrophenyl)-5-(4-iodophenyl)-4-phenyl-1H-imidazole
CID 3350004

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole?
The IUPAC name of 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole (CID 1355364) is 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole is O=[N+]([O-])c1ccccc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole?
The InChIKey is FGOIMVFSJPGQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O2/c22-16-12-10-15(11-13-16)20-19(14-6-2-1-3-7-14)23-21(24-20)17-8-4-5-9-18(17)25(26)27/h1-13H,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole?
5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole has a molecular weight of 375.82 g/mol, XLogP of 5.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-(2-nitrophenyl)-4-phenyl-1H-imidazole is sourced from PubChem (CID 1355364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).