1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone

C21H24N2Se — CID 122228843

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
SMILESCc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Se])c(C)c1
InChIInChI=1S/C21H24N2Se/c1-13-9-15(3)19(16(4)10-13)22-7-8-23(21(22)24)20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3
InChIKeyIEWODOBGMXGPMT-UHFFFAOYSA-N
MW383.40 g/mol
LogP4.82
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone

1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone (PubChem CID 122228843) has the molecular formula C21H24N2Se and a molecular weight of 383.40 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
PubChem CID122228843
Molecular FormulaC21H24N2Se
Molecular Weight383.40 g/mol
Exact Mass384.11
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone
SMILESCc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Se])c(C)c1
InChIInChI=1S/C21H24N2Se/c1-13-9-15(3)19(16(4)10-13)22-7-8-23(21(22)24)20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3
InChIKeyIEWODOBGMXGPMT-UHFFFAOYSA-N
XLogP4.82
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone 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 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone (CID 122228843) is 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone is Cc1cc(C)c(-n2ccn(-c3c(C)cc(C)cc3C)c2=[Se])c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone?
The InChIKey is IEWODOBGMXGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2Se/c1-13-9-15(3)19(16(4)10-13)22-7-8-23(21(22)24)20-17(5)11-14(2)12-18(20)6/h7-12H,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone?
1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone has a molecular weight of 383.40 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazole-2-selone is sourced from PubChem (CID 122228843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).