7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium

C13H18N3+ — CID 166010787

IUPAC7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium
SMILESCc1ccccc1N1CCN2CC[N+](C)=C21
InChIInChI=1S/C13H18N3/c1-11-5-3-4-6-12(11)16-10-9-15-8-7-14(2)13(15)16/h3-6H,7-10H2,1-2H3/q+1
InChIKeyMUKWMBMVGFCZFM-UHFFFAOYSA-N
MW216.31 g/mol
LogP1.13
Rot. Bonds1

About 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium

7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium (PubChem CID 166010787) has the molecular formula C13H18N3+ and a molecular weight of 216.31 g/mol. Its IUPAC name is 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium.

Molecular Properties

Compound Name7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium
PubChem CID166010787
Molecular FormulaC13H18N3+
Molecular Weight216.31 g/mol
Exact Mass216.15
IUPAC Name7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium
SMILESCc1ccccc1N1CCN2CC[N+](C)=C21
InChIInChI=1S/C13H18N3/c1-11-5-3-4-6-12(11)16-10-9-15-8-7-14(2)13(15)16/h3-6H,7-10H2,1-2H3/q+1
InChIKeyMUKWMBMVGFCZFM-UHFFFAOYSA-N
XLogP1.13
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium?
The IUPAC name of 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium (CID 166010787) is 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium.
What is the SMILES notation for 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium?
The canonical SMILES for 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium is Cc1ccccc1N1CCN2CC[N+](C)=C21.
What is the InChIKey of 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium?
The InChIKey is MUKWMBMVGFCZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N3/c1-11-5-3-4-6-12(11)16-10-9-15-8-7-14(2)13(15)16/h3-6H,7-10H2,1-2H3/q+1.
What are the key properties of 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium?
7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium has a molecular weight of 216.31 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-(2-methylphenyl)-2,3,5,6-tetrahydroimidazo[1,2-a]imidazol-7-ium is sourced from PubChem (CID 166010787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).