4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde

C10H16N2O — CID 105438952

IUPAC4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde
SMILESCCc1[nH]c(C=O)nc1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-5-7-9(10(2,3)4)12-8(6-13)11-7/h6H,5H2,1-4H3,(H,11,12)
InChIKeyJCZQKFNELCWQGN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.08
Rot. Bonds2

About 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde

4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde (PubChem CID 105438952) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde
PubChem CID105438952
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde
SMILESCCc1[nH]c(C=O)nc1C(C)(C)C
InChIInChI=1S/C10H16N2O/c1-5-7-9(10(2,3)4)12-8(6-13)11-7/h6H,5H2,1-4H3,(H,11,12)
InChIKeyJCZQKFNELCWQGN-UHFFFAOYSA-N
XLogP2.08
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.08
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 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde (CID 105438952) is 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde is CCc1[nH]c(C=O)nc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde?
The InChIKey is JCZQKFNELCWQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7-9(10(2,3)4)12-8(6-13)11-7/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde?
4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde has a molecular weight of 180.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethyl-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 105438952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).