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

C12H10N2O2 — CID 12953637

IUPAC3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1n1ccnc1
InChIInChI=1S/C12H10N2O2/c15-12-9-3-1-2-4-11(9)16-7-10(12)14-6-5-13-8-14/h1-6,8,10H,7H2
InChIKeyITQOJKKYPXNVMP-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.70
Rot. Bonds1

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

3-imidazol-1-yl-2,3-dihydrochromen-4-one (PubChem CID 12953637) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-imidazol-1-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-imidazol-1-yl-2,3-dihydrochromen-4-one
PubChem CID12953637
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-imidazol-1-yl-2,3-dihydrochromen-4-one
SMILESO=C1c2ccccc2OCC1n1ccnc1
InChIInChI=1S/C12H10N2O2/c15-12-9-3-1-2-4-11(9)16-7-10(12)14-6-5-13-8-14/h1-6,8,10H,7H2
InChIKeyITQOJKKYPXNVMP-UHFFFAOYSA-N
XLogP1.70
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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

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
6-Chloro-2-(5-chloro-1-methylimidazol-2-yl)-2,3-dihydrochromen-4-one
CID 657803
3-(Imidazolylmethyl)flavone
CID 11847316
4-(3-((1H-imidazol-1-yl)methyl)-4-oxo-4H-chromen-2-yl)benzonitrile
CID 11847319
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
1-{2-[2-hydroxy-3-(1H-imidazol-1-yl)propoxy]phenyl}ethanone
CID 2963346
2-(Imidazol-1-ylmethyl)chromen-4-one
CID 22406650

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 3-imidazol-1-yl-2,3-dihydrochromen-4-one (CID 12953637) is 3-imidazol-1-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-imidazol-1-yl-2,3-dihydrochromen-4-one is O=C1c2ccccc2OCC1n1ccnc1.
What is the InChIKey of 3-imidazol-1-yl-2,3-dihydrochromen-4-one?
The InChIKey is ITQOJKKYPXNVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c15-12-9-3-1-2-4-11(9)16-7-10(12)14-6-5-13-8-14/h1-6,8,10H,7H2.
What are the key properties of 3-imidazol-1-yl-2,3-dihydrochromen-4-one?
3-imidazol-1-yl-2,3-dihydrochromen-4-one has a molecular weight of 214.22 g/mol, XLogP of 1.70, 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-2,3-dihydrochromen-4-one is sourced from PubChem (CID 12953637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).