4-(2-chloroethyl)-1-tritylimidazole

C24H21ClN2 — CID 14239714

IUPAC4-(2-chloroethyl)-1-tritylimidazole
SMILESClCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H21ClN2/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2
InChIKeyCRASEQORRPQZAZ-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.50
Rot. Bonds6

About 4-(2-chloroethyl)-1-tritylimidazole

4-(2-chloroethyl)-1-tritylimidazole (PubChem CID 14239714) has the molecular formula C24H21ClN2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-(2-chloroethyl)-1-tritylimidazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-1-tritylimidazole
PubChem CID14239714
Molecular FormulaC24H21ClN2
Molecular Weight372.90 g/mol
Exact Mass372.14
IUPAC Name4-(2-chloroethyl)-1-tritylimidazole
SMILESClCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C24H21ClN2/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2
InChIKeyCRASEQORRPQZAZ-UHFFFAOYSA-N
XLogP5.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.50
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-(2-chloroethyl)-1-tritylimidazole?
The IUPAC name of 4-(2-chloroethyl)-1-tritylimidazole (CID 14239714) is 4-(2-chloroethyl)-1-tritylimidazole.
What is the SMILES notation for 4-(2-chloroethyl)-1-tritylimidazole?
The canonical SMILES for 4-(2-chloroethyl)-1-tritylimidazole is ClCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-(2-chloroethyl)-1-tritylimidazole?
The InChIKey is CRASEQORRPQZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2/c25-17-16-23-18-27(19-26-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,18-19H,16-17H2.
What are the key properties of 4-(2-chloroethyl)-1-tritylimidazole?
4-(2-chloroethyl)-1-tritylimidazole has a molecular weight of 372.90 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-1-tritylimidazole is sourced from PubChem (CID 14239714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).