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

C12H7BrClN5O — CID 62868280

IUPAC2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1nc(Oc2cccc(Br)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H7BrClN5O/c13-8-2-1-3-9(6-8)20-12-17-10(14)16-11(18-12)19-5-4-15-7-19/h1-7H
InChIKeyQHJPCGZJPKKTLA-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.27
Rot. Bonds3

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

2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62868280) has the molecular formula C12H7BrClN5O and a molecular weight of 352.58 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62868280
Molecular FormulaC12H7BrClN5O
Molecular Weight352.58 g/mol
Exact Mass350.95
IUPAC Name2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
SMILESClc1nc(Oc2cccc(Br)c2)nc(-n2ccnc2)n1
InChIInChI=1S/C12H7BrClN5O/c13-8-2-1-3-9(6-8)20-12-17-10(14)16-11(18-12)19-5-4-15-7-19/h1-7H
InChIKeyQHJPCGZJPKKTLA-UHFFFAOYSA-N
XLogP3.27
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62868436
2-(3-bromo-5-fluorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 81314461
2-(3-bromophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868442
2-(2-bromo-4-chlorophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine
CID 62869973
2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
CID 62870863
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
4-(3-ethylphenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80845966
2-(3-bromophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124618
4-(3-bromo-5-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 81314424
4-(3-chloro-4-fluorophenoxy)-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80862731
4-chloro-6-imidazol-1-yl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62868144
2-chloro-4-imidazol-1-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 62870806

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine (CID 62868280) is 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is Clc1nc(Oc2cccc(Br)c2)nc(-n2ccnc2)n1.
What is the InChIKey of 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is QHJPCGZJPKKTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN5O/c13-8-2-1-3-9(6-8)20-12-17-10(14)16-11(18-12)19-5-4-15-7-19/h1-7H.
What are the key properties of 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine?
2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 352.58 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-4-chloro-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62868280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).