2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine

C12H6BrCl2N5O — CID 62869973

IUPAC2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c(Br)c1
InChIInChI=1S/C12H6BrCl2N5O/c13-8-5-7(14)1-2-9(8)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyOVGBIYOMCXLUIK-UHFFFAOYSA-N
MW387.02 g/mol
LogP3.92
Rot. Bonds3

About 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine

2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62869973) has the molecular formula C12H6BrCl2N5O and a molecular weight of 387.02 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62869973
Molecular FormulaC12H6BrCl2N5O
Molecular Weight387.02 g/mol
Exact Mass384.91
IUPAC Name2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c(Br)c1
InChIInChI=1S/C12H6BrCl2N5O/c13-8-5-7(14)1-2-9(8)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyOVGBIYOMCXLUIK-UHFFFAOYSA-N
XLogP3.92
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.02
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (CID 62869973) is 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is Clc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is OVGBIYOMCXLUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2N5O/c13-8-5-7(14)1-2-9(8)21-12-18-10(15)17-11(19-12)20-4-3-16-6-20/h1-6H.
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 387.02 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62869973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).