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

C12H6BrClFN5O — CID 62870150

IUPAC2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1cc(Br)ccc1Oc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H6BrClFN5O/c13-7-1-2-9(8(15)5-7)21-12-18-10(14)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyKSKGEILGFXPKIM-UHFFFAOYSA-N
MW370.57 g/mol
LogP3.40
Rot. Bonds3

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

2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62870150) has the molecular formula C12H6BrClFN5O and a molecular weight of 370.57 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62870150
Molecular FormulaC12H6BrClFN5O
Molecular Weight370.57 g/mol
Exact Mass368.94
IUPAC Name2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1cc(Br)ccc1Oc1nc(Cl)nc(-n2ccnc2)n1
InChIInChI=1S/C12H6BrClFN5O/c13-7-1-2-9(8(15)5-7)21-12-18-10(14)17-11(19-12)20-4-3-16-6-20/h1-6H
InChIKeyKSKGEILGFXPKIM-UHFFFAOYSA-N
XLogP3.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.57
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-Bromophenoxy)ethyl]-1H-imidazole
CID 867248
1-[6-(4-Bromophenoxy)hexyl]imidazole
CID 2843859
1-[4-(4-Bromophenoxy)butyl]imidazole
CID 2843665
1-(3-(4-bromophenoxy)propyl)-1H-imidazole
CID 2843772
2-(4-bromophenoxymethyl)-1-(difluoromethyl)-1H-imidazole
CID 43088420
2-(4-Bromophenoxy)-1-(2,2-difluoroethyl)imidazole
CID 68280611
2-(4-Bromo-2-fluorophenoxy)-1-methylimidazole
CID 68280612
1-Ethyl-2-(4-fluorophenoxy)imidazole
CID 117189877
1-[2-(2-Bromo-4-fluorophenoxy)ethyl]imidazole
CID 28782467
2-(2-Bromo-4-fluorophenoxy)-1-methylimidazole
CID 62132371
2-(2-Bromo-4-fluorophenoxy)-1-ethylimidazole
CID 62139509
2-Chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
CID 62868467

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (CID 62870150) is 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is Fc1cc(Br)ccc1Oc1nc(Cl)nc(-n2ccnc2)n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is KSKGEILGFXPKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClFN5O/c13-7-1-2-9(8(15)5-7)21-12-18-10(14)17-11(19-12)20-4-3-16-6-20/h1-6H.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 370.57 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62870150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).