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

C13H9Cl2N5O — CID 62870863

IUPAC2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c(Cl)c1
InChIInChI=1S/C13H9Cl2N5O/c1-8-2-3-10(9(14)6-8)21-13-18-11(15)17-12(19-13)20-5-4-16-7-20/h2-7H,1H3
InChIKeyDLIPKGRQRPHTQT-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.46
Rot. Bonds3

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

2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine (PubChem CID 62870863) has the molecular formula C13H9Cl2N5O and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
PubChem CID62870863
Molecular FormulaC13H9Cl2N5O
Molecular Weight322.16 g/mol
Exact Mass321.02
IUPAC Name2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine
SMILESCc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c(Cl)c1
InChIInChI=1S/C13H9Cl2N5O/c1-8-2-3-10(9(14)6-8)21-13-18-11(15)17-12(19-13)20-5-4-16-7-20/h2-7H,1H3
InChIKeyDLIPKGRQRPHTQT-UHFFFAOYSA-N
XLogP3.46
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine (CID 62870863) is 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine is Cc1ccc(Oc2nc(Cl)nc(-n3ccnc3)n2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine?
The InChIKey is DLIPKGRQRPHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N5O/c1-8-2-3-10(9(14)6-8)21-13-18-11(15)17-12(19-13)20-5-4-16-7-20/h2-7H,1H3.
What are the key properties of 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine?
2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine has a molecular weight of 322.16 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-methylphenoxy)-6-imidazol-1-yl-1,3,5-triazine is sourced from PubChem (CID 62870863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).