6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium

C14H19N2Y- — CID 153129261

IUPAC6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium
SMILESCc1[c-]c(C(C)C)c2c(c1C(C)C)=NCN=2.[Y]
InChIInChI=1S/C14H19N2.Y/c1-8(2)11-6-10(5)12(9(3)4)14-13(11)15-7-16-14;/h8-9H,7H2,1-5H3;/q-1;
InChIKeyZBYIXRXAPFUYAJ-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.25
Rot. Bonds2

About 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium

6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium (PubChem CID 153129261) has the molecular formula C14H19N2Y- and a molecular weight of 304.23 g/mol. Its IUPAC name is 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium.

Molecular Properties

Compound Name6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium
PubChem CID153129261
Molecular FormulaC14H19N2Y-
Molecular Weight304.23 g/mol
Exact Mass304.06
IUPAC Name6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium
SMILESCc1[c-]c(C(C)C)c2c(c1C(C)C)=NCN=2.[Y]
InChIInChI=1S/C14H19N2.Y/c1-8(2)11-6-10(5)12(9(3)4)14-13(11)15-7-16-14;/h8-9H,7H2,1-5H3;/q-1;
InChIKeyZBYIXRXAPFUYAJ-UHFFFAOYSA-N
XLogP2.25
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.25
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-di(propan-2-yl)-2H-benzimidazole
CID 89446993
4-methyl-7-propan-2-yl-2H-benzimidazole
CID 89451895
4,8-di(propan-2-yl)-6H-imidazo[4,5-f]benzimidazole
CID 121465805
4,7-ditert-butyl-2H-benzimidazole
CID 134195407
4,7-Ditert-butyl-2,2-dimethylbenzimidazole
CID 145599063
4-[bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 147644607
4,6,7-Trimethyl-2,5-dihydrobenzimidazol-5-ide;yttrium
CID 147967586
7-(4,4-Dimethylpentyl)-4,6-dimethyl-2,5-dihydrobenzimidazol-5-ide;bis(yttrium)
CID 149228041
4-[2,3-bis(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)propyl]-5,6,7-trimethyl-2H-benzimidazole;pentakis(yttrium)
CID 162069232
N,3,4,5-tetramethyl-6-methylidene-2-propan-2-ylcyclohexa-2,4-dien-1-imine
CID 167013322
4-[3-(6,7-Dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)-2-[(6,7-dimethyl-2,5-dihydrobenzimidazol-5-id-4-yl)methyl]propyl]-6,7-dimethyl-2,5-dihydrobenzimidazol-5-ide;hexakis(yttrium)
CID 167689906

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium?
The IUPAC name of 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium (CID 153129261) is 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium.
What is the SMILES notation for 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium?
The canonical SMILES for 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium is Cc1[c-]c(C(C)C)c2c(c1C(C)C)=NCN=2.[Y].
What is the InChIKey of 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium?
The InChIKey is ZBYIXRXAPFUYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N2.Y/c1-8(2)11-6-10(5)12(9(3)4)14-13(11)15-7-16-14;/h8-9H,7H2,1-5H3;/q-1;.
What are the key properties of 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium?
6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium has a molecular weight of 304.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,7-di(propan-2-yl)-2,5-dihydrobenzimidazol-5-ide;yttrium is sourced from PubChem (CID 153129261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).