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

C13H10N2O2 — CID 22406650

IUPAC2-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1cc(Cn2ccnc2)oc2ccccc12
InChIInChI=1S/C13H10N2O2/c16-12-7-10(8-15-6-5-14-9-15)17-13-4-2-1-3-11(12)13/h1-7,9H,8H2
InChIKeyPYYAMCXYNZXUHX-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.04
Rot. Bonds2

About 2-(imidazol-1-ylmethyl)chromen-4-one

2-(imidazol-1-ylmethyl)chromen-4-one (PubChem CID 22406650) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)chromen-4-one.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)chromen-4-one
PubChem CID22406650
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name2-(imidazol-1-ylmethyl)chromen-4-one
SMILESO=c1cc(Cn2ccnc2)oc2ccccc12
InChIInChI=1S/C13H10N2O2/c16-12-7-10(8-15-6-5-14-9-15)17-13-4-2-1-3-11(12)13/h1-7,9H,8H2
InChIKeyPYYAMCXYNZXUHX-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

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazol-1-ylmethyl)chromen-4-one?
The IUPAC name of 2-(imidazol-1-ylmethyl)chromen-4-one (CID 22406650) is 2-(imidazol-1-ylmethyl)chromen-4-one.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)chromen-4-one?
The canonical SMILES for 2-(imidazol-1-ylmethyl)chromen-4-one is O=c1cc(Cn2ccnc2)oc2ccccc12.
What is the InChIKey of 2-(imidazol-1-ylmethyl)chromen-4-one?
The InChIKey is PYYAMCXYNZXUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12-7-10(8-15-6-5-14-9-15)17-13-4-2-1-3-11(12)13/h1-7,9H,8H2.
What are the key properties of 2-(imidazol-1-ylmethyl)chromen-4-one?
2-(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 2-(imidazol-1-ylmethyl)chromen-4-one is sourced from PubChem (CID 22406650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).