1-tritylimidazole

C22H18N2 — CID 618231

IUPAC1-tritylimidazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyNPZDCTUDQYGYQD-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.72
Rot. Bonds4

About 1-tritylimidazole

1-tritylimidazole (PubChem CID 618231) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-tritylimidazole.

Molecular Properties

Compound Name1-tritylimidazole
PubChem CID618231
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name1-tritylimidazole
SMILESc1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1
InChIInChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChIKeyNPZDCTUDQYGYQD-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tritylimidazole?
The IUPAC name of 1-tritylimidazole (CID 618231) is 1-tritylimidazole.
What is the SMILES notation for 1-tritylimidazole?
The canonical SMILES for 1-tritylimidazole is c1ccc(C(c2ccccc2)(c2ccccc2)n2ccnc2)cc1.
What is the InChIKey of 1-tritylimidazole?
The InChIKey is NPZDCTUDQYGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-4-10-19(11-5-1)22(24-17-16-23-18-24,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 1-tritylimidazole?
1-tritylimidazole has a molecular weight of 310.40 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tritylimidazole is sourced from PubChem (CID 618231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).