1,2,3-trimethyl-2H-imidazole-4-carbaldehyde

C7H12N2O — CID 23026362

IUPAC1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
SMILESCC1N(C)C=C(C=O)N1C
InChIInChI=1S/C7H12N2O/c1-6-8(2)4-7(5-10)9(6)3/h4-6H,1-3H3
InChIKeyYIFXONCMDJRVLG-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.25
Rot. Bonds1

About 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde

1,2,3-trimethyl-2H-imidazole-4-carbaldehyde (PubChem CID 23026362) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
PubChem CID23026362
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1,2,3-trimethyl-2H-imidazole-4-carbaldehyde
SMILESCC1N(C)C=C(C=O)N1C
InChIInChI=1S/C7H12N2O/c1-6-8(2)4-7(5-10)9(6)3/h4-6H,1-3H3
InChIKeyYIFXONCMDJRVLG-UHFFFAOYSA-N
XLogP0.25
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.25
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 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde?
The IUPAC name of 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde (CID 23026362) is 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde.
What is the SMILES notation for 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde?
The canonical SMILES for 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde is CC1N(C)C=C(C=O)N1C.
What is the InChIKey of 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde?
The InChIKey is YIFXONCMDJRVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-8(2)4-7(5-10)9(6)3/h4-6H,1-3H3.
What are the key properties of 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde?
1,2,3-trimethyl-2H-imidazole-4-carbaldehyde has a molecular weight of 140.19 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-2H-imidazole-4-carbaldehyde is sourced from PubChem (CID 23026362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).