1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole

C22H17N3O2 — CID 53243899

IUPAC1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
SMILESCn1c(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1
InChIInChI=1S/C22H17N3O2/c1-24-21(17-8-4-2-5-9-17)20(16-12-14-19(15-13-16)25(26)27)23-22(24)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeySASWXBOULWMPNS-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.33
Rot. Bonds4

About 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole

1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole (PubChem CID 53243899) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole.

Molecular Properties

Compound Name1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
PubChem CID53243899
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
SMILESCn1c(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1
InChIInChI=1S/C22H17N3O2/c1-24-21(17-8-4-2-5-9-17)20(16-12-14-19(15-13-16)25(26)27)23-22(24)18-10-6-3-7-11-18/h2-15H,1H3
InChIKeySASWXBOULWMPNS-UHFFFAOYSA-N
XLogP5.33
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.33
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

1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 91262383
methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
CID 139060722
5-(4-nitrophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 139191662
2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
CID 15129898
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
1,3-dimethyl-5-(4-nitrophenyl)-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 154716998
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
1-methyl-2-(4-nitrophenyl)benzimidazole;2-(4-nitrophenyl)-1H-benzimidazole
CID 159281006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole?
The IUPAC name of 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole (CID 53243899) is 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole.
What is the SMILES notation for 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole?
The canonical SMILES for 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole is Cn1c(-c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1.
What is the InChIKey of 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole?
The InChIKey is SASWXBOULWMPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-24-21(17-8-4-2-5-9-17)20(16-12-14-19(15-13-16)25(26)27)23-22(24)18-10-6-3-7-11-18/h2-15H,1H3.
What are the key properties of 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole?
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole has a molecular weight of 355.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole is sourced from PubChem (CID 53243899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).