1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole

C23H18N6 — CID 134274134

IUPAC1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole
SMILESC=Cc1ccc(-c2cc(-n3ccnc3)c(-n3ccnc3)c(-n3ccnc3)c2)cc1
InChIInChI=1S/C23H18N6/c1-2-18-3-5-19(6-4-18)20-13-21(27-10-7-24-15-27)23(29-12-9-26-17-29)22(14-20)28-11-8-25-16-28/h2-17H,1H2
InChIKeyOBUYZISUXJOCND-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.55
Rot. Bonds5

About 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole

1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole (PubChem CID 134274134) has the molecular formula C23H18N6 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole
PubChem CID134274134
Molecular FormulaC23H18N6
Molecular Weight378.44 g/mol
Exact Mass378.16
IUPAC Name1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole
SMILESC=Cc1ccc(-c2cc(-n3ccnc3)c(-n3ccnc3)c(-n3ccnc3)c2)cc1
InChIInChI=1S/C23H18N6/c1-2-18-3-5-19(6-4-18)20-13-21(27-10-7-24-15-27)23(29-12-9-26-17-29)22(14-20)28-11-8-25-16-28/h2-17H,1H2
InChIKeyOBUYZISUXJOCND-UHFFFAOYSA-N
XLogP4.55
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole?
The IUPAC name of 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole (CID 134274134) is 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole.
What is the SMILES notation for 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole?
The canonical SMILES for 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole is C=Cc1ccc(-c2cc(-n3ccnc3)c(-n3ccnc3)c(-n3ccnc3)c2)cc1.
What is the InChIKey of 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole?
The InChIKey is OBUYZISUXJOCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6/c1-2-18-3-5-19(6-4-18)20-13-21(27-10-7-24-15-27)23(29-12-9-26-17-29)22(14-20)28-11-8-25-16-28/h2-17H,1H2.
What are the key properties of 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole?
1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole has a molecular weight of 378.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethenylphenyl)-2,6-di(imidazol-1-yl)phenyl]imidazole is sourced from PubChem (CID 134274134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).