4-nitro-1-tritylimidazole

C22H17N3O2 — CID 618227

IUPAC4-nitro-1-tritylimidazole
SMILESO=[N+]([O-])c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyMUQGVERJAKANJN-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.63
Rot. Bonds5

About 4-nitro-1-tritylimidazole

4-nitro-1-tritylimidazole (PubChem CID 618227) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-nitro-1-tritylimidazole.

Molecular Properties

Compound Name4-nitro-1-tritylimidazole
PubChem CID618227
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-nitro-1-tritylimidazole
SMILESO=[N+]([O-])c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H
InChIKeyMUQGVERJAKANJN-UHFFFAOYSA-N
XLogP4.63
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.63
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-tritylimidazole?
The IUPAC name of 4-nitro-1-tritylimidazole (CID 618227) is 4-nitro-1-tritylimidazole.
What is the SMILES notation for 4-nitro-1-tritylimidazole?
The canonical SMILES for 4-nitro-1-tritylimidazole is O=[N+]([O-])c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-nitro-1-tritylimidazole?
The InChIKey is MUQGVERJAKANJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-25(27)21-16-24(17-23-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17H.
What are the key properties of 4-nitro-1-tritylimidazole?
4-nitro-1-tritylimidazole has a molecular weight of 355.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-tritylimidazole is sourced from PubChem (CID 618227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).