2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde

C15H20N2O — CID 167264281

IUPAC2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=C(Cn2ccnc2C)C(C)=C(C=O)C(C)C1
InChIInChI=1S/C15H20N2O/c1-10-7-11(2)15(9-18)12(3)14(10)8-17-6-5-16-13(17)4/h5-6,9,11H,7-8H2,1-4H3
InChIKeyVGLZFRUFZDSVMO-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.06
Rot. Bonds3

About 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde

2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 167264281) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde
PubChem CID167264281
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=C(Cn2ccnc2C)C(C)=C(C=O)C(C)C1
InChIInChI=1S/C15H20N2O/c1-10-7-11(2)15(9-18)12(3)14(10)8-17-6-5-16-13(17)4/h5-6,9,11H,7-8H2,1-4H3
InChIKeyVGLZFRUFZDSVMO-UHFFFAOYSA-N
XLogP3.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde (CID 167264281) is 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde is CC1=C(Cn2ccnc2C)C(C)=C(C=O)C(C)C1.
What is the InChIKey of 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is VGLZFRUFZDSVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-7-11(2)15(9-18)12(3)14(10)8-17-6-5-16-13(17)4/h5-6,9,11H,7-8H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde?
2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 244.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-[(2-methylimidazol-1-yl)methyl]cyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 167264281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).