1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide

C9H16N2 — CID 15953579

IUPAC1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
SMILESCC(C)n1[c-][n+](C(C)C)cc1
InChIInChI=1S/C9H16N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-6,8-9H,1-4H3
InChIKeyOKQRBKCPDDIKMR-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.74
Rot. Bonds2

About 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide

1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide (PubChem CID 15953579) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
PubChem CID15953579
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide
SMILESCC(C)n1[c-][n+](C(C)C)cc1
InChIInChI=1S/C9H16N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-6,8-9H,1-4H3
InChIKeyOKQRBKCPDDIKMR-UHFFFAOYSA-N
XLogP1.74
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
The IUPAC name of 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide (CID 15953579) is 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide.
What is the SMILES notation for 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
The canonical SMILES for 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide is CC(C)n1[c-][n+](C(C)C)cc1.
What is the InChIKey of 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
The InChIKey is OKQRBKCPDDIKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-6,8-9H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide?
1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide has a molecular weight of 152.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-2H-imidazol-1-ium-2-ide is sourced from PubChem (CID 15953579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).