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

C23H21N3O3 — CID 139060722

IUPACmethanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
SMILESCO.Cn1c(-c2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H17N3O2.CH4O/c1-24-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)23-22(24)18-14-8-9-15-19(18)25(26)27;1-2/h2-15H,1H3;2H,1H3
InChIKeyCHASWIRBNAXTNG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.94
Rot. Bonds4

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

methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole (PubChem CID 139060722) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole.

Molecular Properties

Compound Namemethanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
PubChem CID139060722
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Namemethanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole
SMILESCO.Cn1c(-c2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H17N3O2.CH4O/c1-24-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)23-22(24)18-14-8-9-15-19(18)25(26)27;1-2/h2-15H,1H3;2H,1H3
InChIKeyCHASWIRBNAXTNG-UHFFFAOYSA-N
XLogP4.94
TPSA81.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-nitrophenyl)-4,5-diphenylimidazole
CID 91262383
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
3-(2-nitrophenyl)-1-phenylimidazo[1,5-a]pyridine
CID 154641480
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
CID 15129898
1-methyl-4-(2-methylphenyl)-2,5-diphenylimidazole
CID 53243903
5,6-dichloro-1-methyl-2-(2-nitrophenyl)benzimidazole
CID 134103285
1-nitro-2-phenylbenzene;pyridine
CID 174774599
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
3-methyl-5-(2-nitrophenyl)-1,2,4-triazole-4-carboxylic acid
CID 174594366
3-methyl-2-phenylindeno[1,2-d]imidazol-4-one
CID 86059747
1-methyl-4-nitro-5-phenylpyrazol-3-amine
CID 83821863

Frequently Asked Questions

What is the IUPAC name of methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
The IUPAC name of methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole (CID 139060722) is methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole.
What is the SMILES notation for methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
The canonical SMILES for methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole is CO.Cn1c(-c2ccccc2[N+](=O)[O-])nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
The InChIKey is CHASWIRBNAXTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.CH4O/c1-24-21(17-12-6-3-7-13-17)20(16-10-4-2-5-11-16)23-22(24)18-14-8-9-15-19(18)25(26)27;1-2/h2-15H,1H3;2H,1H3.
What are the key properties of methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole?
methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole has a molecular weight of 387.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;1-methyl-2-(2-nitrophenyl)-4,5-diphenylimidazole is sourced from PubChem (CID 139060722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).