2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole

C11H9N3Se — CID 621889

IUPAC2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole
SMILESCc1nn2cc(-c3ccccc3)nc2[se]1
InChIInChI=1S/C11H9N3Se/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRNEJEIMFVTYPKP-UHFFFAOYSA-N
MW262.17 g/mol
LogP1.76
Rot. Bonds1

About 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole

2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole (PubChem CID 621889) has the molecular formula C11H9N3Se and a molecular weight of 262.17 g/mol. Its IUPAC name is 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole.

Molecular Properties

Compound Name2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole
PubChem CID621889
Molecular FormulaC11H9N3Se
Molecular Weight262.17 g/mol
Exact Mass263.00
IUPAC Name2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole
SMILESCc1nn2cc(-c3ccccc3)nc2[se]1
InChIInChI=1S/C11H9N3Se/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyRNEJEIMFVTYPKP-UHFFFAOYSA-N
XLogP1.76
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-triphenylimidazo[2,1-b][1,3]selenazole
CID 14721958
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
6-chloro-2-(4-phenylphenyl)imidazo[1,2-b]pyridazine
CID 15032578
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite
CID 167444701
2,3-bis(4-fluorophenyl)-6-phenylimidazo[1,2-b][1,2,4]triazine
CID 70789952
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
2-(4-methylphenyl)-6-phenylsulfanylimidazo[1,2-b]pyridazine
CID 15750003
N,N-diethyl-1-methyl-4-phenylimidazol-2-amine
CID 59955699
3-methyl-6-phenylimidazo[2,1-b][1,3]oxazole
CID 10703102
2-[(2-methylphenoxy)methyl]-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
CID 11623933
8-chloro-6-phenylimidazo[1,5-a]pyrazine
CID 76849768

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole?
The IUPAC name of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole (CID 621889) is 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole.
What is the SMILES notation for 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole?
The canonical SMILES for 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole is Cc1nn2cc(-c3ccccc3)nc2[se]1.
What is the InChIKey of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole?
The InChIKey is RNEJEIMFVTYPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3Se/c1-8-13-14-7-10(12-11(14)15-8)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole?
2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole has a molecular weight of 262.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole is sourced from PubChem (CID 621889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).