4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium

C10H11N2Y- — CID 147967586

IUPAC4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium
SMILESCc1[c-]c(C)c2c(c1C)=NCN=2.[Y]
InChIInChI=1S/C10H11N2.Y/c1-6-4-7(2)9-10(8(6)3)12-5-11-9;/h5H2,1-3H3;/q-1;
InChIKeySDEPFOKBQSEVEQ-UHFFFAOYSA-N
MW248.12 g/mol
LogP0.62
Rot. Bonds

About 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium

4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium (PubChem CID 147967586) has the molecular formula C10H11N2Y- and a molecular weight of 248.12 g/mol. Its IUPAC name is 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium.

Molecular Properties

Compound Name4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium
PubChem CID147967586
Molecular FormulaC10H11N2Y-
Molecular Weight248.12 g/mol
Exact Mass248.00
IUPAC Name4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium
SMILESCc1[c-]c(C)c2c(c1C)=NCN=2.[Y]
InChIInChI=1S/C10H11N2.Y/c1-6-4-7(2)9-10(8(6)3)12-5-11-9;/h5H2,1-3H3;/q-1;
InChIKeySDEPFOKBQSEVEQ-UHFFFAOYSA-N
XLogP0.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 50.62
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

5,6-Difluoro-2,2,4,7-tetramethylbenzimidazole
CID 117708794
5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
Methane;2,2,5,6-tetrafluoro-4,7-dimethylbenzimidazole
CID 160947057
4,7-dimethyl-2H-benzimidazole
CID 20812386
4,5,6,7-tetramethyl-2H-benzimidazole
CID 21034549
1-N,2-N,3,4,5,6-hexamethylcyclohexa-3,5-diene-1,2-diimine
CID 22979280
4-ethyl-7-methanidyl-2H-benzimidazole;hexakis(yttrium)
CID 57997721
4-ethyl-7-methyl-2H-benzimidazole
CID 57997722
4-methyl-7-(4-methylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58019378
5,6-dimethyl-4,7-bis(2,3,4-trimethylcyclopenta-1,3-dien-1-yl)-2H-benzimidazole
CID 58281838
4,7-diethyl-2H-benzimidazole
CID 58776602
4,5,6-trimethyl-2H-benzimidazole
CID 59646218

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium?
The IUPAC name of 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium (CID 147967586) is 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium.
What is the SMILES notation for 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium?
The canonical SMILES for 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium is Cc1[c-]c(C)c2c(c1C)=NCN=2.[Y].
What is the InChIKey of 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium?
The InChIKey is SDEPFOKBQSEVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2.Y/c1-6-4-7(2)9-10(8(6)3)12-5-11-9;/h5H2,1-3H3;/q-1;.
What are the key properties of 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium?
4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium has a molecular weight of 248.12 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium is sourced from PubChem (CID 147967586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).