2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine

C18H13N5 — CID 141294128

IUPAC2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-n3ccnc3)cc2)cc(-c2ncncn2)c1
InChIInChI=1S/C18H13N5/c1-2-15(10-16(3-1)18-21-11-20-12-22-18)14-4-6-17(7-5-14)23-9-8-19-13-23/h1-13H
InChIKeyXBYUMXKVGLMAAV-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.39
Rot. Bonds3

About 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine

2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 141294128) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID141294128
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1cc(-c2ccc(-n3ccnc3)cc2)cc(-c2ncncn2)c1
InChIInChI=1S/C18H13N5/c1-2-15(10-16(3-1)18-21-11-20-12-22-18)14-4-6-17(7-5-14)23-9-8-19-13-23/h1-13H
InChIKeyXBYUMXKVGLMAAV-UHFFFAOYSA-N
XLogP3.39
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
4-(4-imidazol-1-ylphenyl)benzenesulfonyl chloride
CID 141011983
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-naphthalen-2-ylimidazole
CID 23644748
1-(4-prop-2-enoxyphenyl)imidazole
CID 67611559
1-(4-prop-2-enylphenyl)imidazole
CID 55274314
1-(4-dibenzothiophen-4-ylphenyl)imidazole
CID 175483044
2-[4-(4-imidazol-1-ylphenyl)furan-3-yl]phenol
CID 175398744
3-(2-fluoro-5-imidazol-1-ylphenyl)pyridine
CID 67483953

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine (CID 141294128) is 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine is c1cc(-c2ccc(-n3ccnc3)cc2)cc(-c2ncncn2)c1.
What is the InChIKey of 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is XBYUMXKVGLMAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-15(10-16(3-1)18-21-11-20-12-22-18)14-4-6-17(7-5-14)23-9-8-19-13-23/h1-13H.
What are the key properties of 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine?
2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 299.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 141294128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).