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

C12H9BrN2O2 — CID 12953644

IUPAC6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Br)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H9BrN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10H,6H2
InChIKeyVNKXLXZALRITGK-UHFFFAOYSA-N
MW293.12 g/mol
LogP2.46
Rot. Bonds1

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

6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one (PubChem CID 12953644) has the molecular formula C12H9BrN2O2 and a molecular weight of 293.12 g/mol. Its IUPAC name is 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
PubChem CID12953644
Molecular FormulaC12H9BrN2O2
Molecular Weight293.12 g/mol
Exact Mass291.98
IUPAC Name6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(Br)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H9BrN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10H,6H2
InChIKeyVNKXLXZALRITGK-UHFFFAOYSA-N
XLogP2.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Bromo-1-imidazol-1-ylmethyl-xanthen-9-one
CID 10473365
3-[(S)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one
CID 11639518
3-[(R)-(4-bromophenyl)(1H-imidazol-1-yl)methyl]-4H-chromen-4-one
CID 11696602
3-((1H-imidazol-1-yl)methyl)-2-(4-bromophenyl)-4H-chromen-4-one
CID 11847318
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650
3-Bromo-6-(imidazol-1-ylmethyl)xanthen-9-one
CID 145971322
3-Imidazol-1-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 12953633
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
6-Chloro-3-(1H-imidazol-1-yl)chroman-4-one
CID 12953639
3-Imidazol-1-yl-6-methyl-2,3-dihydrochromen-4-one
CID 12953640
6,8-Dibromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
CID 12953643

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one (CID 12953644) is 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one is O=C1c2cc(Br)ccc2OCC1n1ccnc1.
What is the InChIKey of 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is VNKXLXZALRITGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O2/c13-8-1-2-11-9(5-8)12(16)10(6-17-11)15-4-3-14-7-15/h1-5,7,10H,6H2.
What are the key properties of 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 293.12 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).