2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium

C10H11N2Y- — CID 59708911

IUPAC2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
SMILESCc1c[c-]cc2c1nc(C)n2C.[Y]
InChIInChI=1S/C10H11N2.Y/c1-7-5-4-6-9-10(7)11-8(2)12(9)3;/h5-6H,1-3H3;/q-1;
InChIKeySJCWDHOVMXQXGX-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.99
Rot. Bonds

About 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium

2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium (PubChem CID 59708911) has the molecular formula C10H11N2Y- and a molecular weight of 248.12 g/mol. Its IUPAC name is 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium.

Molecular Properties

Compound Name2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
PubChem CID59708911
Molecular FormulaC10H11N2Y-
Molecular Weight248.12 g/mol
Exact Mass248.00
IUPAC Name2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium
SMILESCc1c[c-]cc2c1nc(C)n2C.[Y]
InChIInChI=1S/C10H11N2.Y/c1-7-5-4-6-9-10(7)11-8(2)12(9)3;/h5-6H,1-3H3;/q-1;
InChIKeySJCWDHOVMXQXGX-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 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 ≤ 51.99
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

(5E)-1,2-dimethyl-4-methylidene-5-[(E)-4,4,5-trifluoro-3-methylpent-2-enylidene]imidazole
CID 146359447
1,2-dimethyl-5-(trifluoromethyl)-7H-cyclohepta[d]imidazole
CID 146359473
2,2,5,6,8-pentamethyl-3H-imidazo[1,2-a]pyridine
CID 20677189
6-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 45087578
2,3-dimethyl-5H-cyclopenta[d]imidazole
CID 54229219
3,4,8,9-Tetramethyl-7,9-diazabicyclo[4.3.1]deca-1(10),2,4,6(10),7-pentaene
CID 54528064
2,3,6,7-tetramethyl-5H-imidazo[4,5-b]pyridin-5-ide;yttrium
CID 57560714
1,2,3-Trimethyl-5,6-dihydrobenzimidazol-3-ium
CID 59289989
3,7-Dimethyl-2,5-dihydrobenzimidazole-2,5-diide;tungsten;yttrium
CID 59708818
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
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866

Frequently Asked Questions

What is the IUPAC name of 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium?
The IUPAC name of 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium (CID 59708911) is 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium.
What is the SMILES notation for 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium?
The canonical SMILES for 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium is Cc1c[c-]cc2c1nc(C)n2C.[Y].
What is the InChIKey of 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium?
The InChIKey is SJCWDHOVMXQXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N2.Y/c1-7-5-4-6-9-10(7)11-8(2)12(9)3;/h5-6H,1-3H3;/q-1;.
What are the key properties of 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium?
2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium has a molecular weight of 248.12 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7-trimethyl-5H-benzimidazol-5-ide;yttrium is sourced from PubChem (CID 59708911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).