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

C12H6Cl2FN5O — CID 63880200

IUPAC2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)cc1Cl
InChIInChI=1S/C12H6Cl2FN5O/c13-8-5-7(1-2-9(8)15)21-12-18-10(14)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyBWJUSEKQUMZEQJ-UHFFFAOYSA-N
MW326.12 g/mol
LogP3.30
Rot. Bonds3

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

2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 63880200) has the molecular formula C12H6Cl2FN5O and a molecular weight of 326.12 g/mol. Its IUPAC name is 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
PubChem CID63880200
Molecular FormulaC12H6Cl2FN5O
Molecular Weight326.12 g/mol
Exact Mass324.99
IUPAC Name2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)cc1Cl
InChIInChI=1S/C12H6Cl2FN5O/c13-8-5-7(1-2-9(8)15)21-12-18-10(14)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyBWJUSEKQUMZEQJ-UHFFFAOYSA-N
XLogP3.30
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine (CID 63880200) is 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine is Fc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is BWJUSEKQUMZEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN5O/c13-8-5-7(1-2-9(8)15)21-12-18-10(14)17-11(19-12)20-4-3-16-6-20/h1-6H.
What are the key properties of 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 326.12 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 63880200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).