2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole

C24H18N4 — CID 102056008

IUPAC2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole
SMILESC(=C/c1c2ccccc2c(/C=C/c2ncc[nH]2)c2ccccc12)\c1ncc[nH]1
InChIInChI=1S/C24H18N4/c1-2-6-18-17(5-1)21(9-11-23-25-13-14-26-23)19-7-3-4-8-20(19)22(18)10-12-24-27-15-16-28-24/h1-16H,(H,25,26)(H,27,28)/b11-9+,12-10+
InChIKeyZTVUJPKLQMGEQX-WGDLNXRISA-N
MW362.44 g/mol
LogP5.78
Rot. Bonds4

About 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole

2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole (PubChem CID 102056008) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole
PubChem CID102056008
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole
SMILESC(=C/c1c2ccccc2c(/C=C/c2ncc[nH]2)c2ccccc12)\c1ncc[nH]1
InChIInChI=1S/C24H18N4/c1-2-6-18-17(5-1)21(9-11-23-25-13-14-26-23)19-7-3-4-8-20(19)22(18)10-12-24-27-15-16-28-24/h1-16H,(H,25,26)(H,27,28)/b11-9+,12-10+
InChIKeyZTVUJPKLQMGEQX-WGDLNXRISA-N
XLogP5.78
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methylphenyl)ethenyl]-1H-imidazole
CID 68963797
4-[(E)-2-(1H-imidazol-2-yl)ethenyl]pyridin-1-ium
CID 102403490
3-(1H-imidazol-2-yl)-1-phenylprop-2-en-1-one
CID 57095346
(Z)-3-(1H-imidazol-2-yl)prop-2-en-1-ol
CID 10909565
2-[(1E,3E)-penta-1,3-dienyl]-1H-imidazole
CID 173339835
3-(1H-imidazol-2-yl)-1-(2-methylphenyl)prop-2-en-1-one
CID 57177678
2-[(Z)-pent-1-enyl]-1H-imidazole
CID 129140949
(Z)-3-(1H-imidazol-2-yl)prop-2-enoic acid
CID 53230707
2-pent-1-enyl-1H-imidazole
CID 57076372
2-[2-(4-nitrophenyl)ethenyl]-1H-imidazole
CID 175851441
ethane;2-[(1Z,3Z)-penta-1,3-dienyl]-1H-imidazole;hydroiodide
CID 143945095
(E)-3-(1H-imidazol-2-yl)-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 18782918

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole?
The IUPAC name of 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole (CID 102056008) is 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole?
The canonical SMILES for 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole is C(=C/c1c2ccccc2c(/C=C/c2ncc[nH]2)c2ccccc12)\c1ncc[nH]1.
What is the InChIKey of 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole?
The InChIKey is ZTVUJPKLQMGEQX-WGDLNXRISA-N. The full InChI is InChI=1S/C24H18N4/c1-2-6-18-17(5-1)21(9-11-23-25-13-14-26-23)19-7-3-4-8-20(19)22(18)10-12-24-27-15-16-28-24/h1-16H,(H,25,26)(H,27,28)/b11-9+,12-10+.
What are the key properties of 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole?
2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole has a molecular weight of 362.44 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[10-[(E)-2-(1H-imidazol-2-yl)ethenyl]anthracen-9-yl]ethenyl]-1H-imidazole is sourced from PubChem (CID 102056008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).