5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole

C15H9BrClN3O2 — CID 143152406

IUPAC5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole
SMILESO=[N+]([O-])c1cc(-c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1Cl
InChIInChI=1S/C15H9BrClN3O2/c16-11-4-1-9(2-5-11)13-8-18-15(19-13)10-3-6-12(17)14(7-10)20(21)22/h1-8H,(H,18,19)
InChIKeyVXWZORRKRGVPNA-UHFFFAOYSA-N
MW378.61 g/mol
LogP5.07
Rot. Bonds3

About 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole

5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole (PubChem CID 143152406) has the molecular formula C15H9BrClN3O2 and a molecular weight of 378.61 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole
PubChem CID143152406
Molecular FormulaC15H9BrClN3O2
Molecular Weight378.61 g/mol
Exact Mass376.96
IUPAC Name5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole
SMILESO=[N+]([O-])c1cc(-c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1Cl
InChIInChI=1S/C15H9BrClN3O2/c16-11-4-1-9(2-5-11)13-8-18-15(19-13)10-3-6-12(17)14(7-10)20(21)22/h1-8H,(H,18,19)
InChIKeyVXWZORRKRGVPNA-UHFFFAOYSA-N
XLogP5.07
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.61
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65460043
2-(3,4-dichlorophenyl)-5-phenyl-1H-imidazole
CID 23103021
2-bromo-5-[2-(3-chlorophenyl)-1H-imidazol-5-yl]pyridine
CID 90370615
(4Z)-4-[(4-bromophenyl)methylidene]-2-(4-chloro-3-nitrophenyl)-1H-imidazol-5-one
CID 135699340
4-[2-(4-chloro-3-fluorophenyl)-1H-imidazol-5-yl]-N-methylaniline
CID 131992559
4-[2-(4-bromophenyl)ethoxy]-1-chloro-2-nitrobenzene
CID 69023273
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682
1-bromo-4-(4-bromophenyl)-2-nitrobenzene
CID 58316117
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368
2-[2-(4-methyl-3-nitrophenyl)-1H-imidazol-5-yl]ethanamine
CID 24764108
methyl 3-[4-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-nitrophenyl]propanoate
CID 19376552
bis(5-(4-bromophenyl)-1H-imidazol-2-amine);sulfuric acid
CID 121229057

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole?
The IUPAC name of 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole (CID 143152406) is 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole is O=[N+]([O-])c1cc(-c2ncc(-c3ccc(Br)cc3)[nH]2)ccc1Cl.
What is the InChIKey of 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole?
The InChIKey is VXWZORRKRGVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrClN3O2/c16-11-4-1-9(2-5-11)13-8-18-15(19-13)10-3-6-12(17)14(7-10)20(21)22/h1-8H,(H,18,19).
What are the key properties of 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole?
5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole has a molecular weight of 378.61 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole is sourced from PubChem (CID 143152406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).