2-iodo-1-tritylimidazole

C22H17IN2 — CID 618240

IUPAC2-iodo-1-tritylimidazole
SMILESIc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17IN2/c23-21-24-16-17-25(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
InChIKeyAAHIYUWXFHXGBO-UHFFFAOYSA-N
MW436.30 g/mol
LogP5.33
Rot. Bonds4

About 2-iodo-1-tritylimidazole

2-iodo-1-tritylimidazole (PubChem CID 618240) has the molecular formula C22H17IN2 and a molecular weight of 436.30 g/mol. Its IUPAC name is 2-iodo-1-tritylimidazole.

Molecular Properties

Compound Name2-iodo-1-tritylimidazole
PubChem CID618240
Molecular FormulaC22H17IN2
Molecular Weight436.30 g/mol
Exact Mass436.04
IUPAC Name2-iodo-1-tritylimidazole
SMILESIc1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17IN2/c23-21-24-16-17-25(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
InChIKeyAAHIYUWXFHXGBO-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.30
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-tritylimidazole?
The IUPAC name of 2-iodo-1-tritylimidazole (CID 618240) is 2-iodo-1-tritylimidazole.
What is the SMILES notation for 2-iodo-1-tritylimidazole?
The canonical SMILES for 2-iodo-1-tritylimidazole is Ic1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-iodo-1-tritylimidazole?
The InChIKey is AAHIYUWXFHXGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17IN2/c23-21-24-16-17-25(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 2-iodo-1-tritylimidazole?
2-iodo-1-tritylimidazole has a molecular weight of 436.30 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-tritylimidazole is sourced from PubChem (CID 618240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).