6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one

C12H8Br2N2O2 — CID 12953643

IUPAC6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Br)cc(Br)c2OCC1n1ccnc1
InChIInChI=1S/C12H8Br2N2O2/c13-7-3-8-11(17)10(16-2-1-15-6-16)5-18-12(8)9(14)4-7/h1-4,6,10H,5H2
InChIKeyQSZZJXTZSKTFEO-UHFFFAOYSA-N
MW372.02 g/mol
LogP3.22
Rot. Bonds1

About 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one

6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one (PubChem CID 12953643) has the molecular formula C12H8Br2N2O2 and a molecular weight of 372.02 g/mol. Its IUPAC name is 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
PubChem CID12953643
Molecular FormulaC12H8Br2N2O2
Molecular Weight372.02 g/mol
Exact Mass369.90
IUPAC Name6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Br)cc(Br)c2OCC1n1ccnc1
InChIInChI=1S/C12H8Br2N2O2/c13-7-3-8-11(17)10(16-2-1-15-6-16)5-18-12(8)9(14)4-7/h1-4,6,10H,5H2
InChIKeyQSZZJXTZSKTFEO-UHFFFAOYSA-N
XLogP3.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.02
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-3-(1H-imidazol-1-yl)-4H-1-benzopyran-4-one
CID 12953637
3-(1H-Imidazol-1-yl)-6-methoxy-2,3-dihydro-4H-1-benzopyran-4-one
CID 12953638
3-Imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
CID 12953640
6-Bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
CID 12953644
8-Bromo-3-imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
CID 12953645
3-Imidazol-1-yl-2-methyl-chroman-4-one
CID 13135443
8-Bromo-3-imidazol-1-yl-2-methyl-4-oxo-2,3-dihydrochromene-6-carboxylic acid
CID 13135459
(+-)-2-phenyl-3-(1H-imidazol-1-yl)-2,3-dihydro-4H-benzopyran-4-one
CID 13135472
6-Bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
CID 13135483
3-Imidazol-1-yl-2-propyl-2,3-dihydrochromen-4-one
CID 13284880
3-Imidazol-1-yl-7-phenyl-2,3-dihydrochromen-4-one
CID 13573507
8-Bromo-6-tert-butyl-3-imidazol-1-yl-2,3-dihydrochromen-4-one
CID 13573509

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one (CID 12953643) is 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one is O=C1c2cc(Br)cc(Br)c2OCC1n1ccnc1.
What is the InChIKey of 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is QSZZJXTZSKTFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O2/c13-7-3-8-11(17)10(16-2-1-15-6-16)5-18-12(8)9(14)4-7/h1-4,6,10H,5H2.
What are the key properties of 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 372.02 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).