4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde

C15H14N2O2 — CID 58933006

IUPAC4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde
SMILESCCc1oc2ccccc2c1-c1cn(C)c(C=O)n1
InChIInChI=1S/C15H14N2O2/c1-3-12-15(10-6-4-5-7-13(10)19-12)11-8-17(2)14(9-18)16-11/h4-9H,3H2,1-2H3
InChIKeyNOZLZGUIRJZNRV-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.21
Rot. Bonds3

About 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde

4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde (PubChem CID 58933006) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde
PubChem CID58933006
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde
SMILESCCc1oc2ccccc2c1-c1cn(C)c(C=O)n1
InChIInChI=1S/C15H14N2O2/c1-3-12-15(10-6-4-5-7-13(10)19-12)11-8-17(2)14(9-18)16-11/h4-9H,3H2,1-2H3
InChIKeyNOZLZGUIRJZNRV-UHFFFAOYSA-N
XLogP3.21
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde?
The IUPAC name of 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde (CID 58933006) is 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde.
What is the SMILES notation for 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde?
The canonical SMILES for 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde is CCc1oc2ccccc2c1-c1cn(C)c(C=O)n1.
What is the InChIKey of 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde?
The InChIKey is NOZLZGUIRJZNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-12-15(10-6-4-5-7-13(10)19-12)11-8-17(2)14(9-18)16-11/h4-9H,3H2,1-2H3.
What are the key properties of 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde?
4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde has a molecular weight of 254.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazole-2-carbaldehyde is sourced from PubChem (CID 58933006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).