5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole

C13H12N2O2 — CID 169087980

IUPAC5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole
SMILESCOc1ccc2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C13H12N2O2/c1-16-9-2-3-13-11(6-9)10(4-5-17-13)12-7-14-8-15-12/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyWGWOTDVEGTZTNI-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.24
Rot. Bonds2

About 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole

5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole (PubChem CID 169087980) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole
PubChem CID169087980
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole
SMILESCOc1ccc2c(c1)C(c1cnc[nH]1)=CCO2
InChIInChI=1S/C13H12N2O2/c1-16-9-2-3-13-11(6-9)10(4-5-17-13)12-7-14-8-15-12/h2-4,6-8H,5H2,1H3,(H,14,15)
InChIKeyWGWOTDVEGTZTNI-UHFFFAOYSA-N
XLogP2.24
TPSA47.14 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole?
The IUPAC name of 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole (CID 169087980) is 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole is COc1ccc2c(c1)C(c1cnc[nH]1)=CCO2.
What is the InChIKey of 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole?
The InChIKey is WGWOTDVEGTZTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-9-2-3-13-11(6-9)10(4-5-17-13)12-7-14-8-15-12/h2-4,6-8H,5H2,1H3,(H,14,15).
What are the key properties of 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole?
5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole has a molecular weight of 228.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2H-chromen-4-yl)-1H-imidazole is sourced from PubChem (CID 169087980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).