3-(1H-imidazol-5-ylmethyl)chromen-4-one

C13H10N2O2 — CID 127027571

IUPAC3-(1H-imidazol-5-ylmethyl)chromen-4-one
SMILESO=c1c(Cc2cnc[nH]2)coc2ccccc12
InChIInChI=1S/C13H10N2O2/c16-13-9(5-10-6-14-8-15-10)7-17-12-4-2-1-3-11(12)13/h1-4,6-8H,5H2,(H,14,15)
InChIKeyWOBGJBMBDUMJOB-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.11
Rot. Bonds2

About 3-(1H-imidazol-5-ylmethyl)chromen-4-one

3-(1H-imidazol-5-ylmethyl)chromen-4-one (PubChem CID 127027571) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(1H-imidazol-5-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name3-(1H-imidazol-5-ylmethyl)chromen-4-one
PubChem CID127027571
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-(1H-imidazol-5-ylmethyl)chromen-4-one
SMILESO=c1c(Cc2cnc[nH]2)coc2ccccc12
InChIInChI=1S/C13H10N2O2/c16-13-9(5-10-6-14-8-15-10)7-17-12-4-2-1-3-11(12)13/h1-4,6-8H,5H2,(H,14,15)
InChIKeyWOBGJBMBDUMJOB-UHFFFAOYSA-N
XLogP2.11
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-ylmethyl)chromen-4-one?
The IUPAC name of 3-(1H-imidazol-5-ylmethyl)chromen-4-one (CID 127027571) is 3-(1H-imidazol-5-ylmethyl)chromen-4-one.
What is the SMILES notation for 3-(1H-imidazol-5-ylmethyl)chromen-4-one?
The canonical SMILES for 3-(1H-imidazol-5-ylmethyl)chromen-4-one is O=c1c(Cc2cnc[nH]2)coc2ccccc12.
What is the InChIKey of 3-(1H-imidazol-5-ylmethyl)chromen-4-one?
The InChIKey is WOBGJBMBDUMJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-9(5-10-6-14-8-15-10)7-17-12-4-2-1-3-11(12)13/h1-4,6-8H,5H2,(H,14,15).
What are the key properties of 3-(1H-imidazol-5-ylmethyl)chromen-4-one?
3-(1H-imidazol-5-ylmethyl)chromen-4-one has a molecular weight of 226.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-ylmethyl)chromen-4-one is sourced from PubChem (CID 127027571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).