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

C12H6ClF2N5O — CID 62868467

IUPAC2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1cc(F)cc(Oc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H6ClF2N5O/c13-10-17-11(20-2-1-16-6-20)19-12(18-10)21-9-4-7(14)3-8(15)5-9/h1-6H
InChIKeyPAZHFDFATWQOCG-UHFFFAOYSA-N
MW309.66 g/mol
LogP2.78
Rot. Bonds3

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

2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62868467) has the molecular formula C12H6ClF2N5O and a molecular weight of 309.66 g/mol. Its IUPAC name is 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62868467
Molecular FormulaC12H6ClF2N5O
Molecular Weight309.66 g/mol
Exact Mass309.02
IUPAC Name2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine
SMILESFc1cc(F)cc(Oc2nc(Cl)nc(-n3ccnc3)n2)c1
InChIInChI=1S/C12H6ClF2N5O/c13-10-17-11(20-2-1-16-6-20)19-12(18-10)21-9-4-7(14)3-8(15)5-9/h1-6H
InChIKeyPAZHFDFATWQOCG-UHFFFAOYSA-N
XLogP2.78
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.66
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-fluorophenoxy)propyl]-1H-imidazole
CID 2843814
1-[3-(2-fluorophenoxy)propyl]-1H-imidazole
CID 2843524
1-(3-Phenoxypropyl)-1H-imidazole
CID 2841183
1-[5-(4-fluorophenoxy)pentyl]-1H-imidazole
CID 2851826
1-[4-(2-fluorophenoxy)butyl]-1H-imidazole
CID 2843880
2-(4-Chlorophenoxy)-1-methyl-imidazole
CID 307940
1-[2-(2-fluorophenoxy)ethyl]-1H-imidazole
CID 759829
1-[2-(2-Fluorophenoxy)ethyl]-4-[(1-methylimidazol-2-yl)methyl]piperazine
CID 53569975
1-[(E)-1-fluoro-2-(4-methoxyphenyl)ethenyl]imidazole
CID 125476287
1-[2-(4-fluorophenoxy)ethyl]-1H-imidazole
CID 2848066
1-[6-(2-fluorophenoxy)hexyl]-1H-imidazole
CID 5333111
1-[5-(2-fluorophenoxy)pentyl]-1H-imidazole
CID 16608814

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine (CID 62868467) is 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine is Fc1cc(F)cc(Oc2nc(Cl)nc(-n3ccnc3)n2)c1.
What is the InChIKey of 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is PAZHFDFATWQOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2N5O/c13-10-17-11(20-2-1-16-6-20)19-12(18-10)21-9-4-7(14)3-8(15)5-9/h1-6H.
What are the key properties of 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 309.66 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-difluorophenoxy)-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).