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

C12H10N2O3 — CID 12953647

IUPAC6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(O)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H10N2O3/c15-8-1-2-11-9(5-8)12(16)10(6-17-11)14-4-3-13-7-14/h1-5,7,10,15H,6H2
InChIKeyJLNDCGQLWNDIPH-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.41
Rot. Bonds1

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

6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one (PubChem CID 12953647) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
PubChem CID12953647
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2cc(O)ccc2OCC1n1ccnc1
InChIInChI=1S/C12H10N2O3/c15-8-1-2-11-9(5-8)12(16)10(6-17-11)14-4-3-13-7-14/h1-5,7,10,15H,6H2
InChIKeyJLNDCGQLWNDIPH-UHFFFAOYSA-N
XLogP1.41
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-hydroxy-3-imidazol-1-yl-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

Related Compounds

3-(2-Imidazol-1-yl-ethoxy)-benzoic acid
CID 13569194
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650
3-(Imidazol-1-ylmethyl)chromen-4-one
CID 127028818
2-Imidazol-1-yl-1-(3-phenylmethoxyphenyl)ethanone
CID 118723942
(3Z)-6-methoxy-3-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methylidene]chromen-4-one
CID 97836905
3-Imidazol-1-yl-7-methoxy-2,3-dihydrochromen-4-one
CID 12953633
6-Tert-butyl-7-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one
CID 12953635
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-Bromo-3-imidazol-1-yl-2,3-dihydrochromen-4-one
CID 12953644

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one (CID 12953647) is 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one is O=C1c2cc(O)ccc2OCC1n1ccnc1.
What is the InChIKey of 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is JLNDCGQLWNDIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-8-1-2-11-9(5-8)12(16)10(6-17-11)14-4-3-13-7-14/h1-5,7,10,15H,6H2.
What are the key properties of 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one?
6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 230.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-imidazol-1-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).