1-methyl-4H-benzimidazol-4-ide;yttrium

C8H7N2Y- — CID 59098102

IUPAC1-methyl-4H-benzimidazol-4-ide;yttrium
SMILESCn1cnc2[c-]cccc21.[Y]
InChIInChI=1S/C8H7N2.Y/c1-10-6-9-7-4-2-3-5-8(7)10;/h2-3,5-6H,1H3;/q-1;
InChIKeyIORASTBWJTURPD-UHFFFAOYSA-N
MW220.06 g/mol
LogP1.37
Rot. Bonds

About 1-methyl-4H-benzimidazol-4-ide;yttrium

1-methyl-4H-benzimidazol-4-ide;yttrium (PubChem CID 59098102) has the molecular formula C8H7N2Y- and a molecular weight of 220.06 g/mol. Its IUPAC name is 1-methyl-4H-benzimidazol-4-ide;yttrium.

Molecular Properties

Compound Name1-methyl-4H-benzimidazol-4-ide;yttrium
PubChem CID59098102
Molecular FormulaC8H7N2Y-
Molecular Weight220.06 g/mol
Exact Mass219.97
IUPAC Name1-methyl-4H-benzimidazol-4-ide;yttrium
SMILESCn1cnc2[c-]cccc21.[Y]
InChIInChI=1S/C8H7N2.Y/c1-10-6-9-7-4-2-3-5-8(7)10;/h2-3,5-6H,1H3;/q-1;
InChIKeyIORASTBWJTURPD-UHFFFAOYSA-N
XLogP1.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.06
LogP ≤ 51.37
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

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CID 21019641
1-methyl-4H-benzimidazol-4-id-2-amine;yttrium
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1-(4-methylpiperazin-1-yl)-N-phenylmethanimine;yttrium
CID 59362093
1,2-dimethyl-4H-benzimidazol-4-ide;yttrium
CID 59890588
1,6-Dimethyl-2,4-dihydroimidazo[4,5-c]pyridine-2,4-diide;tungsten;yttrium
CID 60078399
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
N-[3-(5-ethylidene-3-methylimidazol-4-ylidene)prop-1-en-2-yl]-N-methylbut-2-en-2-amine
CID 123218601
4-Ethenylidene-1-methyl-5-(3-methylbut-2-enylidene)imidazole
CID 123437116
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
(4E,5E)-4,5-di(ethylidene)-1-methylimidazole
CID 130427202
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4H-benzimidazol-4-ide;yttrium?
The IUPAC name of 1-methyl-4H-benzimidazol-4-ide;yttrium (CID 59098102) is 1-methyl-4H-benzimidazol-4-ide;yttrium.
What is the SMILES notation for 1-methyl-4H-benzimidazol-4-ide;yttrium?
The canonical SMILES for 1-methyl-4H-benzimidazol-4-ide;yttrium is Cn1cnc2[c-]cccc21.[Y].
What is the InChIKey of 1-methyl-4H-benzimidazol-4-ide;yttrium?
The InChIKey is IORASTBWJTURPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N2.Y/c1-10-6-9-7-4-2-3-5-8(7)10;/h2-3,5-6H,1H3;/q-1;.
What are the key properties of 1-methyl-4H-benzimidazol-4-ide;yttrium?
1-methyl-4H-benzimidazol-4-ide;yttrium has a molecular weight of 220.06 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4H-benzimidazol-4-ide;yttrium is sourced from PubChem (CID 59098102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).