1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium

C24H28N4Se2+2 — CID 102311995

IUPAC1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium
SMILESCc1n(Cc2ccccc2[Se][Se]c2ccccc2Cn2cc[n+](C)c2C)cc[n+]1C
InChIInChI=1S/C24H28N4Se2/c1-19-25(3)13-15-27(19)17-21-9-5-7-11-23(21)29-30-24-12-8-6-10-22(24)18-28-16-14-26(4)20(28)2/h5-16H,17-18H2,1-4H3/q+2
InChIKeyKCXLEHUDTZMVPD-UHFFFAOYSA-N
MW530.44 g/mol
LogP0.93
Rot. Bonds7

About 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium

1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium (PubChem CID 102311995) has the molecular formula C24H28N4Se2+2 and a molecular weight of 530.44 g/mol. Its IUPAC name is 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium.

Molecular Properties

Compound Name1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium
PubChem CID102311995
Molecular FormulaC24H28N4Se2+2
Molecular Weight530.44 g/mol
Exact Mass532.06
IUPAC Name1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium
SMILESCc1n(Cc2ccccc2[Se][Se]c2ccccc2Cn2cc[n+](C)c2C)cc[n+]1C
InChIInChI=1S/C24H28N4Se2/c1-19-25(3)13-15-27(19)17-21-9-5-7-11-23(21)29-30-24-12-8-6-10-22(24)18-28-16-14-26(4)20(28)2/h5-16H,17-18H2,1-4H3/q+2
InChIKeyKCXLEHUDTZMVPD-UHFFFAOYSA-N
XLogP0.93
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.44
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium 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-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium?
The IUPAC name of 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium (CID 102311995) is 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium.
What is the SMILES notation for 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium?
The canonical SMILES for 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium is Cc1n(Cc2ccccc2[Se][Se]c2ccccc2Cn2cc[n+](C)c2C)cc[n+]1C.
What is the InChIKey of 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium?
The InChIKey is KCXLEHUDTZMVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4Se2/c1-19-25(3)13-15-27(19)17-21-9-5-7-11-23(21)29-30-24-12-8-6-10-22(24)18-28-16-14-26(4)20(28)2/h5-16H,17-18H2,1-4H3/q+2.
What are the key properties of 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium?
1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium has a molecular weight of 530.44 g/mol, XLogP of 0.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[2-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]diselanyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium is sourced from PubChem (CID 102311995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).