3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one

C13H12N2O2 — CID 12953640

IUPAC3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(n1ccnc1)CO2
InChIInChI=1S/C13H12N2O2/c1-9-2-3-12-10(6-9)13(16)11(7-17-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3
InChIKeyYJEINSUXQFHFRJ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.01
Rot. Bonds1

About 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one

3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one (PubChem CID 12953640) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
PubChem CID12953640
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
SMILESCc1ccc2c(c1)C(=O)C(n1ccnc1)CO2
InChIInChI=1S/C13H12N2O2/c1-9-2-3-12-10(6-9)13(16)11(7-17-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3
InChIKeyYJEINSUXQFHFRJ-UHFFFAOYSA-N
XLogP2.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-((1H-imidazol-1-yl)methyl)-4H-chromen-4-one
CID 10585323
3-((1H-imidazol-1-yl)methyl)-9H-xanthen-9-one
CID 10588478
3-(2-(4-Methoxyphenyl)-2-oxoethyl)-1-methyl-1H-imidazol-3-ium bromide
CID 2881486
3-(Imidazolylmethyl)flavone
CID 11847316
3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
CID 11847320
4-Imidazol-1-ylmethylxanthen-9-one
CID 46867542
2-Imidazol-1-ylmethylxanthen-9-one
CID 46867544
1-Imidazol-1-ylmethylxanthen-9-one
CID 46867545
4-(Imidazol-1-ylmethyl)-2-pent-2-ynoxyxanthen-9-one
CID 156013925
1-{2-[2-hydroxy-3-(1H-imidazol-1-yl)propoxy]phenyl}ethanone
CID 2963346
{1-[(1-ethyl-1H-imidazol-2-yl)methyl]piperidin-3-yl}(4-methoxy-3,5-dimethylphenyl)methanone
CID 16188932
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one (CID 12953640) is 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one is Cc1ccc2c(c1)C(=O)C(n1ccnc1)CO2.
What is the InChIKey of 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one?
The InChIKey is YJEINSUXQFHFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-2-3-12-10(6-9)13(16)11(7-17-12)15-5-4-14-8-15/h2-6,8,11H,7H2,1H3.
What are the key properties of 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one?
3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).