1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde

C11H18N2O — CID 22271707

IUPAC1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde
SMILESCC(C)c1nc(C=O)n(C)c1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)10-11(8(3)4)13(5)9(6-14)12-10/h6-8H,1-5H3
InChIKeyRYESZSIZAKJIBE-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.48
Rot. Bonds3

About 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde

1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde (PubChem CID 22271707) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde
PubChem CID22271707
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde
SMILESCC(C)c1nc(C=O)n(C)c1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)10-11(8(3)4)13(5)9(6-14)12-10/h6-8H,1-5H3
InChIKeyRYESZSIZAKJIBE-UHFFFAOYSA-N
XLogP2.48
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.48
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 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde?
The IUPAC name of 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde (CID 22271707) is 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde is CC(C)c1nc(C=O)n(C)c1C(C)C.
What is the InChIKey of 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde?
The InChIKey is RYESZSIZAKJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)10-11(8(3)4)13(5)9(6-14)12-10/h6-8H,1-5H3.
What are the key properties of 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde?
1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde has a molecular weight of 194.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4,5-di(propan-2-yl)imidazole-2-carbaldehyde is sourced from PubChem (CID 22271707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).