potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide

C29H37KN2-2 — CID 138962600

About potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide

potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide (PubChem CID 138962600) has the molecular formula C29H37KN2-2 and a molecular weight of 452.73 g/mol. Its IUPAC name is potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide.

Molecular Properties

• Compound Name: potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
• PubChem CID: 138962600
• Molecular Formula: C29H37KN2-2
• Molecular Weight: 452.73 g/mol
• Exact Mass: 452.26
• IUPAC Name: potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
• SMILES: Cc1ccc(C)c2c(CCN3C=CN(c4c(C(C)C)cccc4C(C)C)[CH-]3)c[cH-]c12.[CH3-].[K+]
• InChI: InChI=1S/C28H34N2.CH3.K/c1-19(2)24-8-7-9-25(20(3)4)28(24)30-17-16-29(18-30)15-14-23-12-13-26-21(5)10-11-22(6)27(23)26;;/h7-13,16-20H,14-15H2,1-6H3;1H3;/q-2;-1;+1
• InChIKey: GNQUEWQPVCNCDB-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.73
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?

The IUPAC name of potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide (CID 138962600) is potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide.

What is the SMILES notation for potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?

The canonical SMILES for potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide is Cc1ccc(C)c2c(CCN3C=CN(c4c(C(C)C)cccc4C(C)C)[CH-]3)c[cH-]c12.[CH3-].[K+].

What is the InChIKey of potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?

The InChIKey is GNQUEWQPVCNCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2.CH3.K/c1-19(2)24-8-7-9-25(20(3)4)28(24)30-17-16-29(18-30)15-14-23-12-13-26-21(5)10-11-22(6)27(23)26;;/h7-13,16-20H,14-15H2,1-6H3;1H3;/q-2;-1;+1.

What are the key properties of potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide?

potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide has a molecular weight of 452.73 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;carbanide;1-[2-(4,7-dimethyl-3H-inden-3-id-1-yl)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide is sourced from PubChem (CID 138962600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).