4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole

C21H13Cl2N3O2 — CID 45029220

IUPAC4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole
SMILESO=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)c1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-9-10-18(19(23)12-15)20-13-25(16-6-2-1-3-7-16)21(24-20)14-5-4-8-17(11-14)26(27)28/h1-13H
InChIKeyXYJKRNVSFUPPDP-UHFFFAOYSA-N
MW410.26 g/mol
LogP6.42
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole

4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole (PubChem CID 45029220) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole
PubChem CID45029220
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole
SMILESO=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)c1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-9-10-18(19(23)12-15)20-13-25(16-6-2-1-3-7-16)21(24-20)14-5-4-8-17(11-14)26(27)28/h1-13H
InChIKeyXYJKRNVSFUPPDP-UHFFFAOYSA-N
XLogP6.42
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 56.42
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'}

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Related Compounds

4-(2,4-dichlorophenyl)-N-(3-nitrophenyl)-1,3-thiazol-2-amine
CID 1340336
4-(2,4-dichlorophenyl)-1-[(4-nitrophenyl)methyl]-2-[(E)-2-phenylethenyl]imidazole
CID 141121321
N-(4-chlorophenyl)-2-[[5-(3-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1022795
8-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazo[1,2-c]pyrimidine-5-thione
CID 23988454
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(2,4-dichlorophenyl)-4-[(E)-(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 6860827
1-[(2,4-dichlorophenyl)methylideneamino]-4-(3-nitrophenyl)imidazol-2-amine
CID 23794709
1-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
1,4-dimethyl-2-(3-nitrophenyl)imidazole
CID 174565698
3-(2,4-dichlorophenyl)-1-(4-nitrophenyl)benzo[f]quinoline
CID 44613757
4-chloro-6-ethyl-5-methyl-2-(3-nitrophenyl)pyrimidine
CID 63548439

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole (CID 45029220) is 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole is O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole?
The InChIKey is XYJKRNVSFUPPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-15-9-10-18(19(23)12-15)20-13-25(16-6-2-1-3-7-16)21(24-20)14-5-4-8-17(11-14)26(27)28/h1-13H.
What are the key properties of 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole?
4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole has a molecular weight of 410.26 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole is sourced from PubChem (CID 45029220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).