4-(chloromethyl)-1-tritylimidazole

C23H19ClN2 — CID 2763176

IUPAC4-(chloromethyl)-1-tritylimidazole
SMILESClCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2
InChIKeyADCUCAMWCWNHJA-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.46
Rot. Bonds5

About 4-(chloromethyl)-1-tritylimidazole

4-(chloromethyl)-1-tritylimidazole (PubChem CID 2763176) has the molecular formula C23H19ClN2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 4-(chloromethyl)-1-tritylimidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-tritylimidazole
PubChem CID2763176
Molecular FormulaC23H19ClN2
Molecular Weight358.87 g/mol
Exact Mass358.12
IUPAC Name4-(chloromethyl)-1-tritylimidazole
SMILESClCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2
InChIKeyADCUCAMWCWNHJA-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-(chloromethyl)-1-tritylimidazole?
The IUPAC name of 4-(chloromethyl)-1-tritylimidazole (CID 2763176) is 4-(chloromethyl)-1-tritylimidazole.
What is the SMILES notation for 4-(chloromethyl)-1-tritylimidazole?
The canonical SMILES for 4-(chloromethyl)-1-tritylimidazole is ClCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-(chloromethyl)-1-tritylimidazole?
The InChIKey is ADCUCAMWCWNHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2/c24-16-22-17-26(18-25-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18H,16H2.
What are the key properties of 4-(chloromethyl)-1-tritylimidazole?
4-(chloromethyl)-1-tritylimidazole has a molecular weight of 358.87 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-tritylimidazole is sourced from PubChem (CID 2763176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).