2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde

C12H12N2O2 — CID 80502436

IUPAC2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1ncc(C=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-6-4-3-5-10(11)12-13-7-9(8-15)14-12/h3-8H,2H2,1H3,(H,13,14)
InChIKeyNHMVCJBSXQMMDJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde

2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde (PubChem CID 80502436) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
PubChem CID80502436
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde
SMILESCCOc1ccccc1-c1ncc(C=O)[nH]1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-6-4-3-5-10(11)12-13-7-9(8-15)14-12/h3-8H,2H2,1H3,(H,13,14)
InChIKeyNHMVCJBSXQMMDJ-UHFFFAOYSA-N
XLogP2.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde (CID 80502436) is 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde is CCOc1ccccc1-c1ncc(C=O)[nH]1.
What is the InChIKey of 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde?
The InChIKey is NHMVCJBSXQMMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-11-6-4-3-5-10(11)12-13-7-9(8-15)14-12/h3-8H,2H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde?
2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 80502436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).