6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one

C13H11BrN2O3 — CID 13135483

IUPAC6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1Oc2cc(O)c(Br)cc2C(=O)C1n1ccnc1
InChIInChI=1S/C13H11BrN2O3/c1-7-12(16-3-2-15-6-16)13(18)8-4-9(14)10(17)5-11(8)19-7/h2-7,12,17H,1H3
InChIKeyXGEUVUCXEGQMOB-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.56
Rot. Bonds1

About 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one

6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one (PubChem CID 13135483) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
PubChem CID13135483
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one
SMILESCC1Oc2cc(O)c(Br)cc2C(=O)C1n1ccnc1
InChIInChI=1S/C13H11BrN2O3/c1-7-12(16-3-2-15-6-16)13(18)8-4-9(14)10(17)5-11(8)19-7/h2-7,12,17H,1H3
InChIKeyXGEUVUCXEGQMOB-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one (CID 13135483) is 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one is CC1Oc2cc(O)c(Br)cc2C(=O)C1n1ccnc1.
What is the InChIKey of 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
The InChIKey is XGEUVUCXEGQMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-7-12(16-3-2-15-6-16)13(18)8-4-9(14)10(17)5-11(8)19-7/h2-7,12,17H,1H3.
What are the key properties of 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one?
6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one has a molecular weight of 323.15 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-hydroxy-3-imidazol-1-yl-2-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 13135483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).