5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde

C9H12N2O — CID 115012949

IUPAC5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(C2(C)CC2)nc1C=O
InChIInChI=1S/C9H12N2O/c1-6-7(5-12)11-8(10-6)9(2)3-4-9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyYXASBJCBKYXIBM-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.58
Rot. Bonds2

About 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde

5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde (PubChem CID 115012949) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde
PubChem CID115012949
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde
SMILESCc1[nH]c(C2(C)CC2)nc1C=O
InChIInChI=1S/C9H12N2O/c1-6-7(5-12)11-8(10-6)9(2)3-4-9/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyYXASBJCBKYXIBM-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde?
The IUPAC name of 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde (CID 115012949) is 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde.
What is the SMILES notation for 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde?
The canonical SMILES for 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde is Cc1[nH]c(C2(C)CC2)nc1C=O.
What is the InChIKey of 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde?
The InChIKey is YXASBJCBKYXIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-7(5-12)11-8(10-6)9(2)3-4-9/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde?
5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde has a molecular weight of 164.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylcyclopropyl)-1H-imidazole-4-carbaldehyde is sourced from PubChem (CID 115012949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).