1-(6-methoxy-2H-chromen-3-yl)imidazole

C13H12N2O2 — CID 13284885

IUPAC1-(6-methoxy-2H-chromen-3-yl)imidazole
SMILESCOc1ccc2c(c1)C=C(n1ccnc1)CO2
InChIInChI=1S/C13H12N2O2/c1-16-12-2-3-13-10(7-12)6-11(8-17-13)15-5-4-14-9-15/h2-7,9H,8H2,1H3
InChIKeyIVPAQQLAILLFOT-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.28
Rot. Bonds2

About 1-(6-methoxy-2H-chromen-3-yl)imidazole

1-(6-methoxy-2H-chromen-3-yl)imidazole (PubChem CID 13284885) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(6-methoxy-2H-chromen-3-yl)imidazole.

Molecular Properties

Compound Name1-(6-methoxy-2H-chromen-3-yl)imidazole
PubChem CID13284885
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name1-(6-methoxy-2H-chromen-3-yl)imidazole
SMILESCOc1ccc2c(c1)C=C(n1ccnc1)CO2
InChIInChI=1S/C13H12N2O2/c1-16-12-2-3-13-10(7-12)6-11(8-17-13)15-5-4-14-9-15/h2-7,9H,8H2,1H3
InChIKeyIVPAQQLAILLFOT-UHFFFAOYSA-N
XLogP2.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2H-chromen-3-yl)imidazole?
The IUPAC name of 1-(6-methoxy-2H-chromen-3-yl)imidazole (CID 13284885) is 1-(6-methoxy-2H-chromen-3-yl)imidazole.
What is the SMILES notation for 1-(6-methoxy-2H-chromen-3-yl)imidazole?
The canonical SMILES for 1-(6-methoxy-2H-chromen-3-yl)imidazole is COc1ccc2c(c1)C=C(n1ccnc1)CO2.
What is the InChIKey of 1-(6-methoxy-2H-chromen-3-yl)imidazole?
The InChIKey is IVPAQQLAILLFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-16-12-2-3-13-10(7-12)6-11(8-17-13)15-5-4-14-9-15/h2-7,9H,8H2,1H3.
What are the key properties of 1-(6-methoxy-2H-chromen-3-yl)imidazole?
1-(6-methoxy-2H-chromen-3-yl)imidazole has a molecular weight of 228.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2H-chromen-3-yl)imidazole is sourced from PubChem (CID 13284885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).