3-(imidazol-1-ylmethyl)chromen-4-one

C13H10N2O2 — CID 127028818

IUPAC3-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1c(Cn2ccnc2)coc2ccccc12
InChIInChI=1S/C13H10N2O2/c16-13-10(7-15-6-5-14-9-15)8-17-12-4-2-1-3-11(12)13/h1-6,8-9H,7H2
InChIKeyZIXRXPUFLIGPTM-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.04
Rot. Bonds2

About 3-(imidazol-1-ylmethyl)chromen-4-one

3-(imidazol-1-ylmethyl)chromen-4-one (PubChem CID 127028818) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)chromen-4-one
PubChem CID127028818
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1c(Cn2ccnc2)coc2ccccc12
InChIInChI=1S/C13H10N2O2/c16-13-10(7-15-6-5-14-9-15)8-17-12-4-2-1-3-11(12)13/h1-6,8-9H,7H2
InChIKeyZIXRXPUFLIGPTM-UHFFFAOYSA-N
XLogP2.04
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(imidazol-1-ylmethyl)chromen-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 3-(imidazol-1-ylmethyl)chromen-4-one?
The IUPAC name of 3-(imidazol-1-ylmethyl)chromen-4-one (CID 127028818) is 3-(imidazol-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)chromen-4-one?
The canonical SMILES for 3-(imidazol-1-ylmethyl)chromen-4-one is O=c1c(Cn2ccnc2)coc2ccccc12.
What is the InChIKey of 3-(imidazol-1-ylmethyl)chromen-4-one?
The InChIKey is ZIXRXPUFLIGPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-10(7-15-6-5-14-9-15)8-17-12-4-2-1-3-11(12)13/h1-6,8-9H,7H2.
What are the key properties of 3-(imidazol-1-ylmethyl)chromen-4-one?
3-(imidazol-1-ylmethyl)chromen-4-one has a molecular weight of 226.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 127028818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).