1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium

C20H24N3+ — CID 10862385

IUPAC1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ncc[nH]1
InChIInChI=1S/C20H24N3/c1-14(2)18-12-17(16-8-6-5-7-9-16)13-19(15(3)4)23(18)20-21-10-11-22-20/h5-15H,1-4H3,(H,21,22)/q+1
InChIKeyLWKRTPRZNWECBK-UHFFFAOYSA-N
MW306.43 g/mol
LogP4.60
Rot. Bonds4

About 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium

1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium (PubChem CID 10862385) has the molecular formula C20H24N3+ and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium
PubChem CID10862385
Molecular FormulaC20H24N3+
Molecular Weight306.43 g/mol
Exact Mass306.20
IUPAC Name1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ncc[nH]1
InChIInChI=1S/C20H24N3/c1-14(2)18-12-17(16-8-6-5-7-9-16)13-19(15(3)4)23(18)20-21-10-11-22-20/h5-15H,1-4H3,(H,21,22)/q+1
InChIKeyLWKRTPRZNWECBK-UHFFFAOYSA-N
XLogP4.60
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium?
The IUPAC name of 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium (CID 10862385) is 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium is CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1-c1ncc[nH]1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium?
The InChIKey is LWKRTPRZNWECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N3/c1-14(2)18-12-17(16-8-6-5-7-9-16)13-19(15(3)4)23(18)20-21-10-11-22-20/h5-15H,1-4H3,(H,21,22)/q+1.
What are the key properties of 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium?
1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium has a molecular weight of 306.43 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium is sourced from PubChem (CID 10862385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).