2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde

C13H12N2O2 — CID 65404715

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCOc3ccccc32)[nH]1
InChIInChI=1S/C13H12N2O2/c16-8-9-7-14-13(15-9)11-5-6-17-12-4-2-1-3-10(11)12/h1-4,7-8,11H,5-6H2,(H,14,15)
InChIKeyWYNTWBZROUPBTH-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.14
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde

2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde (PubChem CID 65404715) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
PubChem CID65404715
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCOc3ccccc32)[nH]1
InChIInChI=1S/C13H12N2O2/c16-8-9-7-14-13(15-9)11-5-6-17-12-4-2-1-3-10(11)12/h1-4,7-8,11H,5-6H2,(H,14,15)
InChIKeyWYNTWBZROUPBTH-UHFFFAOYSA-N
XLogP2.14
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
CID 65404990
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
3-(3,4-dihydro-2H-chromen-4-yl)-2H-1,2,4-oxadiazole-5-thione
CID 65405652
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65407342
2-(3,4-dihydro-2H-chromen-4-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476665
5-(3,4-dihydro-2H-chromen-4-yl)-3-phenyl-1H-1,2,4-triazole
CID 63708320
2-(3,4-dihydro-2H-chromen-4-yl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65408494
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65404677
5-(1-chloroethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidine
CID 65406034
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431983
methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate
CID 80572524

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde (CID 65404715) is 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde is O=Cc1cnc(C2CCOc3ccccc32)[nH]1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde?
The InChIKey is WYNTWBZROUPBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-8-9-7-14-13(15-9)11-5-6-17-12-4-2-1-3-10(11)12/h1-4,7-8,11H,5-6H2,(H,14,15).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde?
2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde has a molecular weight of 228.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde is sourced from PubChem (CID 65404715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).