3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)

C20H19N5Pt — CID 156661532

IUPAC3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)
SMILESCc1cc[c-]cc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)cnc1.[Pt+2]
InChIInChI=1S/C13H12N5.C7H7.Pt/c1-17-5-3-15-12(17)10-7-11(9-14-8-10)13-16-4-6-18(13)2;1-7-5-3-2-4-6-7;/h3-6,8-9H,1-2H3;3-6H,1H3;/q2*-1;+2
InChIKeyIMIJKEONDPFFLM-UHFFFAOYSA-N
MW524.49 g/mol
LogP3.48
Rot. Bonds2

About 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)

3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+) (PubChem CID 156661532) has the molecular formula C20H19N5Pt and a molecular weight of 524.49 g/mol. Its IUPAC name is 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+).

Molecular Properties

Compound Name3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)
PubChem CID156661532
Molecular FormulaC20H19N5Pt
Molecular Weight524.49 g/mol
Exact Mass524.13
IUPAC Name3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)
SMILESCc1cc[c-]cc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)cnc1.[Pt+2]
InChIInChI=1S/C13H12N5.C7H7.Pt/c1-17-5-3-15-12(17)10-7-11(9-14-8-10)13-16-4-6-18(13)2;1-7-5-3-2-4-6-7;/h3-6,8-9H,1-2H3;3-6H,1H3;/q2*-1;+2
InChIKeyIMIJKEONDPFFLM-UHFFFAOYSA-N
XLogP3.48
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.49
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Bis(2-(2-methylbenzene-6-id-1-yl)-1-(2,2,2-trifluoroethyl)imidazole);platinum(2+)
CID 59661470
Iridium;1-methyl-2-phenylimidazole;1-phenyl-1,2,4-triazole
CID 57596125
iridium;4-(1-methylimidazol-2-yl)-3H-pyridin-3-ide;1-methyl-2-phenylimidazole
CID 57596137
Iridium;1-methyl-2-phenylimidazole;4-methyl-3-phenyl-1,2,4-triazole
CID 57596149
Iridium;1-methyl-2-phenylimidazole
CID 57596182
3-(1-methylimidazol-2-yl)-2H-pyridin-2-ide;platinum
CID 57746156
Iridium;2-phenyl-1-propan-2-ylimidazole
CID 57873973
(Z)-4-hydroxypent-3-en-2-one;iridium;1-methyl-2-[3-(1-methylimidazol-2-yl)benzene-2-id-1-yl]imidazole;cyanide
CID 57973054
Iridium;1-methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole
CID 58163056
1-Methyl-2-(3-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-phenylimidazole;platinum(2+)
CID 58163118
iridium;1-methyl-2-phenylimidazole;4-(4-methyl-1,2,4-triazol-3-yl)-3H-pyridin-3-ide
CID 58220024
2-(2,4-Dimethylbenzene-6-id-1-yl)-1-methylimidazole;2-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazol-1-ium-3-ide;platinum
CID 58401313

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)?
The IUPAC name of 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+) (CID 156661532) is 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+).
What is the SMILES notation for 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)?
The canonical SMILES for 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+) is Cc1cc[c-]cc1.Cn1ccnc1-c1[c-]c(-c2nccn2C)cnc1.[Pt+2].
What is the InChIKey of 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)?
The InChIKey is IMIJKEONDPFFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N5.C7H7.Pt/c1-17-5-3-15-12(17)10-7-11(9-14-8-10)13-16-4-6-18(13)2;1-7-5-3-2-4-6-7;/h3-6,8-9H,1-2H3;3-6H,1H3;/q2*-1;+2.
What are the key properties of 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+)?
3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+) has a molecular weight of 524.49 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(1-methylimidazol-2-yl)-4H-pyridin-4-ide;methylbenzene;platinum(2+) is sourced from PubChem (CID 156661532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).