4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine

C26H19ClN4 — CID 118917067

IUPAC4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
SMILESClc1ncncc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H19ClN4/c27-25-23(16-28-18-29-25)24-17-31(19-30-24)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H
InChIKeyMTFQTVHRNZTXPE-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.83
Rot. Bonds5

About 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine

4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine (PubChem CID 118917067) has the molecular formula C26H19ClN4 and a molecular weight of 422.92 g/mol. Its IUPAC name is 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
PubChem CID118917067
Molecular FormulaC26H19ClN4
Molecular Weight422.92 g/mol
Exact Mass422.13
IUPAC Name4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine
SMILESClc1ncncc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C26H19ClN4/c27-25-23(16-28-18-29-25)24-17-31(19-30-24)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H
InChIKeyMTFQTVHRNZTXPE-UHFFFAOYSA-N
XLogP5.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine (CID 118917067) is 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine is Clc1ncncc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine?
The InChIKey is MTFQTVHRNZTXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4/c27-25-23(16-28-18-29-25)24-17-31(19-30-24)26(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H.
What are the key properties of 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine?
4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine has a molecular weight of 422.92 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-tritylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 118917067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).