3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium

C9H8N2WY-2 — CID 59708818

IUPAC3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
SMILESCc1c[c-]cc2c1n[c-]n2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-4-3-5-8-9(7)10-6-11(8)2;;/h4-5H,1-2H3;;/q-2;;
InChIKeyFCHKHRQUGUBOMT-UHFFFAOYSA-N
MW416.92 g/mol
LogP1.48
Rot. Bonds

About 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium

3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium (PubChem CID 59708818) has the molecular formula C9H8N2WY-2 and a molecular weight of 416.92 g/mol. Its IUPAC name is 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium.

Molecular Properties

Compound Name3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
PubChem CID59708818
Molecular FormulaC9H8N2WY-2
Molecular Weight416.92 g/mol
Exact Mass416.93
IUPAC Name3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
SMILESCc1c[c-]cc2c1n[c-]n2C.[W].[Y]
InChIInChI=1S/C9H8N2.W.Y/c1-7-4-3-5-8-9(7)10-6-11(8)2;;/h4-5H,1-2H3;;/q-2;;
InChIKeyFCHKHRQUGUBOMT-UHFFFAOYSA-N
XLogP1.48
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.92
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 59708824
3,7-Dimethyl-2,5-dihydroimidazo[4,5-b]pyridine-2,5-diide;tungsten;yttrium
CID 59708844
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
6,7-Dimethyl-3,8-dihydroimidazo[1,5-a]pyridine-3,8-diide;tungsten;yttrium
CID 60018607
1,6-Dimethyl-3a,4-dihydrobenzimidazole
CID 68289396
(3aR)-6-ethyl-3-methyl-3a,4-dihydrobenzimidazole
CID 137427543
Ethane;1-methyl-5,6-dihydrobenzimidazole
CID 142804358
1-Methyl-5,6-dihydrobenzimidazole
CID 142804359
1,4-Dimethyl-5,6-dihydrobenzimidazole;ethane
CID 144237869
1,4-Dimethyl-5,6-dihydrobenzimidazole
CID 144237870
3-ethyl-3aH-benzimidazole
CID 152748742

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium?
The IUPAC name of 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium (CID 59708818) is 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium.
What is the SMILES notation for 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium?
The canonical SMILES for 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium is Cc1c[c-]cc2c1n[c-]n2C.[W].[Y].
What is the InChIKey of 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium?
The InChIKey is FCHKHRQUGUBOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.W.Y/c1-7-4-3-5-8-9(7)10-6-11(8)2;;/h4-5H,1-2H3;;/q-2;;.
What are the key properties of 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium?
3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium has a molecular weight of 416.92 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium is sourced from PubChem (CID 59708818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).