2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium

C8H7N2Y- — CID 59098032

IUPAC2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium
SMILESCc1nc2ccc[c-]c2[nH]1.[Y]
InChIInChI=1S/C8H7N2.Y/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-4H,1H3,(H,9,10);/q-1;
InChIKeyRPESEVGXNLIZLH-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.67
Rot. Bonds

About 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium

2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium (PubChem CID 59098032) has the molecular formula C8H7N2Y- and a molecular weight of 220.06 g/mol. Its IUPAC name is 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium.

Molecular Properties

Compound Name2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium
PubChem CID59098032
Molecular FormulaC8H7N2Y-
Molecular Weight220.06 g/mol
Exact Mass219.97
IUPAC Name2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium
SMILESCc1nc2ccc[c-]c2[nH]1.[Y]
InChIInChI=1S/C8H7N2.Y/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-4H,1H3,(H,9,10);/q-1;
InChIKeyRPESEVGXNLIZLH-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

(E)-[(4E)-2-methyl-4-prop-2-enylidene-1H-imidazol-5-ylidene]methanamine
CID 88586966
[(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-imidazol-2-yl]methanamine
CID 88939569
(4E,5E)-4-but-2-enylidene-2-ethyl-5-prop-2-enylidene-1H-imidazole
CID 91464077
(4E,5E)-4-ethylidene-2-methyl-5-prop-2-enylidene-1H-imidazole
CID 123195019
[(4E)-4-but-2-enylidene-5-methylidene-1H-imidazol-2-yl]methanamine
CID 123452172
(4E)-4-ethylidene-2-methyl-5-methylidene-1H-imidazole
CID 123822050
(4E,5E)-2-ethyl-4-ethylidene-5-prop-2-enylidene-1H-imidazole
CID 129019078
2-methyl-4,9-dimethylidene-1H-1,3-diazonine
CID 129060640
(4E,5E)-4,5-di(ethylidene)-2-methyl-1H-imidazole
CID 132261721
[(4E)-4-[(Z)-but-2-enylidene]-5-methylidene-1H-imidazol-2-yl]methanamine
CID 135135340
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole
CID 138600509
(4E)-4-[(Z)-but-2-enylidene]-2-methyl-5-methylidene-1H-imidazole;ethane
CID 141897496

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium?
The IUPAC name of 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium (CID 59098032) is 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium.
What is the SMILES notation for 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium?
The canonical SMILES for 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium is Cc1nc2ccc[c-]c2[nH]1.[Y].
What is the InChIKey of 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium?
The InChIKey is RPESEVGXNLIZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.Y/c1-6-9-7-4-2-3-5-8(7)10-6;/h2-4H,1H3,(H,9,10);/q-1;.
What are the key properties of 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium?
2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium has a molecular weight of 220.06 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,7-dihydrobenzimidazol-7-ide;yttrium is sourced from PubChem (CID 59098032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).