1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)

C9H9N2Y+2 — CID 21334343

IUPAC1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)
SMILESCc1nc2[c-]cccc2n1C.[Y+3]
InChIInChI=1S/C9H9N2.Y/c1-7-10-8-5-3-4-6-9(8)11(7)2;/h3-4,6H,1-2H3;/q-1;+3
InChIKeySPPNOFIFJZYCBR-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.68
Rot. Bonds

About 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)

1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+) (PubChem CID 21334343) has the molecular formula C9H9N2Y+2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+).

Molecular Properties

Compound Name1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)
PubChem CID21334343
Molecular FormulaC9H9N2Y+2
Molecular Weight234.09 g/mol
Exact Mass233.98
IUPAC Name1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)
SMILESCc1nc2[c-]cccc2n1C.[Y+3]
InChIInChI=1S/C9H9N2.Y/c1-7-10-8-5-3-4-6-9(8)11(7)2;/h3-4,6H,1-2H3;/q-1;+3
InChIKeySPPNOFIFJZYCBR-UHFFFAOYSA-N
XLogP1.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.68
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

(2R)-5-fluoro-2-methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 89703885
Dimethylbenzimidazole cobalt chloride
CID 129704091
silver 3-methanidylidene-2H-imidazo[1,2-a]pyridine
CID 134859819
2-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 18452952
2-methylidene-3H-imidazo[1,2-a]pyridine
CID 58182895
2-Methyl-1-phenyl-4,5-dihydroimidazole;tungsten
CID 58914513
1-methyl-4H-benzimidazol-4-ide;yttrium
CID 59098102
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
CID 59362093
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708911
2,3,7-trimethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 59708941
1,2-dimethyl-4H-benzimidazol-4-ide;yttrium
CID 59890588

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)?
The IUPAC name of 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+) (CID 21334343) is 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+).
What is the SMILES notation for 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)?
The canonical SMILES for 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+) is Cc1nc2[c-]cccc2n1C.[Y+3].
What is the InChIKey of 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)?
The InChIKey is SPPNOFIFJZYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N2.Y/c1-7-10-8-5-3-4-6-9(8)11(7)2;/h3-4,6H,1-2H3;/q-1;+3.
What are the key properties of 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+)?
1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+) has a molecular weight of 234.09 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4H-benzimidazol-4-ide;yttrium(3+) is sourced from PubChem (CID 21334343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).