5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium

C18H16N5Y- — CID 140932580

IUPAC5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium
SMILESCc1c(C)n2ccnc2n1-c1c(-c2[c-]nccc2)[c-]cc[n+]1C.[Y]
InChIInChI=1S/C18H16N5.Y/c1-13-14(2)23(18-20-9-11-22(13)18)17-16(7-5-10-21(17)3)15-6-4-8-19-12-15;/h4-6,8-11H,1-3H3;/q-1;
InChIKeyXBPVIIHZNZVSEO-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.23
Rot. Bonds2

About 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium

5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium (PubChem CID 140932580) has the molecular formula C18H16N5Y- and a molecular weight of 391.27 g/mol. Its IUPAC name is 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium.

Molecular Properties

Compound Name5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium
PubChem CID140932580
Molecular FormulaC18H16N5Y-
Molecular Weight391.27 g/mol
Exact Mass391.05
IUPAC Name5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium
SMILESCc1c(C)n2ccnc2n1-c1c(-c2[c-]nccc2)[c-]cc[n+]1C.[Y]
InChIInChI=1S/C18H16N5.Y/c1-13-14(2)23(18-20-9-11-22(13)18)17-16(7-5-10-21(17)3)15-6-4-8-19-12-15;/h4-6,8-11H,1-3H3;/q-1;
InChIKeyXBPVIIHZNZVSEO-UHFFFAOYSA-N
XLogP2.23
TPSA39.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-(3H-furan-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813565
1-methyl-2-(2-methylphenyl)-3-phenyl-4H-pyridin-1-ium-4-ide;yttrium
CID 172528303
3-(2H-tetracen-2-id-1-yl)-2H-pyridin-2-ide;yttrium
CID 58813892
iridium(3+);bis(3-phenyl-2H-pyridin-2-ide)
CID 175918735
2-methyl-3-(2-methylpyrazol-2-ium-1-yl)pyridine
CID 123148844
3-(2H-pyridin-2-id-3-yl)-2H-quinolin-2-ide;yttrium
CID 58813547
carbanide;3-methyl-2H-pyridin-2-ide;scandium
CID 154538916
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
3-(2H-azulen-2-id-1-yl)-2H-pyridin-2-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 59661438
iridium;1-phenyl-2-phenylbenzimidazole;2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175662
2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid
CID 82402215
3-benzyl-5-phenyl-4-[4-phenyl-2,6-di(propan-2-yl)phenyl]-1,2,4-triazole;5,6-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;iridium
CID 155613273

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium?
The IUPAC name of 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium (CID 140932580) is 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium.
What is the SMILES notation for 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium?
The canonical SMILES for 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium is Cc1c(C)n2ccnc2n1-c1c(-c2[c-]nccc2)[c-]cc[n+]1C.[Y].
What is the InChIKey of 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium?
The InChIKey is XBPVIIHZNZVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N5.Y/c1-13-14(2)23(18-20-9-11-22(13)18)17-16(7-5-10-21(17)3)15-6-4-8-19-12-15;/h4-6,8-11H,1-3H3;/q-1;.
What are the key properties of 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium?
5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium has a molecular weight of 391.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-[1-methyl-3-(2H-pyridin-2-id-3-yl)-4H-pyridin-1-ium-4-id-2-yl]imidazo[1,2-a]imidazole;yttrium is sourced from PubChem (CID 140932580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).