1-[2,3-di(imidazol-1-yl)phenyl]imidazole

C15H12N6 — CID 141435532

IUPAC1-[2,3-di(imidazol-1-yl)phenyl]imidazole
SMILESc1cc(-n2ccnc2)c(-n2ccnc2)c(-n2ccnc2)c1
InChIInChI=1S/C15H12N6/c1-2-13(19-7-4-16-10-19)15(21-9-6-18-12-21)14(3-1)20-8-5-17-11-20/h1-12H
InChIKeyTYBTWOMRCAYFSW-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.24
Rot. Bonds3

About 1-[2,3-di(imidazol-1-yl)phenyl]imidazole

1-[2,3-di(imidazol-1-yl)phenyl]imidazole (PubChem CID 141435532) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[2,3-di(imidazol-1-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[2,3-di(imidazol-1-yl)phenyl]imidazole
PubChem CID141435532
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-[2,3-di(imidazol-1-yl)phenyl]imidazole
SMILESc1cc(-n2ccnc2)c(-n2ccnc2)c(-n2ccnc2)c1
InChIInChI=1S/C15H12N6/c1-2-13(19-7-4-16-10-19)15(21-9-6-18-12-21)14(3-1)20-8-5-17-11-20/h1-12H
InChIKeyTYBTWOMRCAYFSW-UHFFFAOYSA-N
XLogP2.24
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(2-imidazol-1-ylphenyl)pyrazole
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1-[2-fluoro-3-(trifluoromethoxy)phenyl]imidazole
CID 91091733
1-tetracen-1-ylimidazole
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1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
2-imidazol-1-yl-3-methylphenol
CID 70472406
2-ethyl-6-imidazol-1-ylaniline
CID 84661065
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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-di(imidazol-1-yl)phenyl]imidazole?
The IUPAC name of 1-[2,3-di(imidazol-1-yl)phenyl]imidazole (CID 141435532) is 1-[2,3-di(imidazol-1-yl)phenyl]imidazole.
What is the SMILES notation for 1-[2,3-di(imidazol-1-yl)phenyl]imidazole?
The canonical SMILES for 1-[2,3-di(imidazol-1-yl)phenyl]imidazole is c1cc(-n2ccnc2)c(-n2ccnc2)c(-n2ccnc2)c1.
What is the InChIKey of 1-[2,3-di(imidazol-1-yl)phenyl]imidazole?
The InChIKey is TYBTWOMRCAYFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-2-13(19-7-4-16-10-19)15(21-9-6-18-12-21)14(3-1)20-8-5-17-11-20/h1-12H.
What are the key properties of 1-[2,3-di(imidazol-1-yl)phenyl]imidazole?
1-[2,3-di(imidazol-1-yl)phenyl]imidazole has a molecular weight of 276.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-di(imidazol-1-yl)phenyl]imidazole is sourced from PubChem (CID 141435532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).