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

C15H22N3+ — CID 10914891

IUPAC1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium
SMILESCc1cc(C(C)C)[n+](-c2ncc[nH]2)c(C(C)C)c1
InChIInChI=1S/C15H22N3/c1-10(2)13-8-12(5)9-14(11(3)4)18(13)15-16-6-7-17-15/h6-11H,1-5H3,(H,16,17)/q+1
InChIKeyKTZTXFZFNHUYEY-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.24
Rot. Bonds3

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

1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium (PubChem CID 10914891) has the molecular formula C15H22N3+ and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium
PubChem CID10914891
Molecular FormulaC15H22N3+
Molecular Weight244.36 g/mol
Exact Mass244.18
IUPAC Name1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium
SMILESCc1cc(C(C)C)[n+](-c2ncc[nH]2)c(C(C)C)c1
InChIInChI=1S/C15H22N3/c1-10(2)13-8-12(5)9-14(11(3)4)18(13)15-16-6-7-17-15/h6-11H,1-5H3,(H,16,17)/q+1
InChIKeyKTZTXFZFNHUYEY-UHFFFAOYSA-N
XLogP3.24
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.24
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-methyl-2,6-di(propan-2-yl)pyridin-1-ium?
The IUPAC name of 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium (CID 10914891) is 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium?
The canonical SMILES for 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium is Cc1cc(C(C)C)[n+](-c2ncc[nH]2)c(C(C)C)c1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium?
The InChIKey is KTZTXFZFNHUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3/c1-10(2)13-8-12(5)9-14(11(3)4)18(13)15-16-6-7-17-15/h6-11H,1-5H3,(H,16,17)/q+1.
What are the key properties of 1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium?
1-(1H-imidazol-2-yl)-4-methyl-2,6-di(propan-2-yl)pyridin-1-ium has a molecular weight of 244.36 g/mol, XLogP of 3.24, 3 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-methyl-2,6-di(propan-2-yl)pyridin-1-ium is sourced from PubChem (CID 10914891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).