7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)

C16H23N2Y2- — CID 149228041

IUPAC7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)
SMILESCc1[c-]c(C)c2c(c1CCCC(C)(C)C)=NCN=2.[Y].[Y]
InChIInChI=1S/C16H23N2.2Y/c1-11-9-12(2)14-15(18-10-17-14)13(11)7-6-8-16(3,4)5;;/h6-8,10H2,1-5H3;;/q-1;;
InChIKeyAYGVYUWUODVDEG-UHFFFAOYSA-N
MW421.19 g/mol
LogP2.68
Rot. Bonds3

About 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)

7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium) (PubChem CID 149228041) has the molecular formula C16H23N2Y2- and a molecular weight of 421.19 g/mol. Its IUPAC name is 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium).

Molecular Properties

Compound Name7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)
PubChem CID149228041
Molecular FormulaC16H23N2Y2-
Molecular Weight421.19 g/mol
Exact Mass421.00
IUPAC Name7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)
SMILESCc1[c-]c(C)c2c(c1CCCC(C)(C)C)=NCN=2.[Y].[Y]
InChIInChI=1S/C16H23N2.2Y/c1-11-9-12(2)14-15(18-10-17-14)13(11)7-6-8-16(3,4)5;;/h6-8,10H2,1-5H3;;/q-1;;
InChIKeyAYGVYUWUODVDEG-UHFFFAOYSA-N
XLogP2.68
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.19
LogP ≤ 52.68
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

4,7-ditert-butyl-5,6-difluoro-2H-benzimidazole
CID 134451233
4,7-Ditert-butyl-5,6-difluoro-2,2-dimethylbenzimidazole
CID 145599085
3-[2,3-dimethyl-4-(2-methyl-3-methyliminobutan-2-yl)cyclopenta-1,3-dien-1-yl]-N,3-dimethylbutan-2-imine
CID 20681059
4-(2,2-dimethylpropyl)-2H-benzimidazole
CID 58157732
4,7-di(propan-2-yl)-2H-benzimidazole
CID 89446993
4,7-ditert-butyl-2H-benzimidazole
CID 134195407
4,8-ditert-butyl-6H-imidazo[4,5-f]benzimidazole
CID 134451261
3-tert-butyl-1-N,2-N-dimethyl-6-propan-2-ylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 142081744
3,6-ditert-butyl-1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 143729846
4,7-Ditert-butyl-2,2-dimethylbenzimidazole
CID 145599063
4-[(5,7-Dimethyl-2,6-dihydrobenzimidazol-6-id-4-yl)methyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;tris(yttrium)
CID 149453998
6-Methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium
CID 153129261

Frequently Asked Questions

What is the IUPAC name of 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)?
The IUPAC name of 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium) (CID 149228041) is 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium).
What is the SMILES notation for 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)?
The canonical SMILES for 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium) is Cc1[c-]c(C)c2c(c1CCCC(C)(C)C)=NCN=2.[Y].[Y].
What is the InChIKey of 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)?
The InChIKey is AYGVYUWUODVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N2.2Y/c1-11-9-12(2)14-15(18-10-17-14)13(11)7-6-8-16(3,4)5;;/h6-8,10H2,1-5H3;;/q-1;;.
What are the key properties of 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)?
7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium) has a molecular weight of 421.19 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,4-dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium) is sourced from PubChem (CID 149228041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).