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

C13H10N2O2 — CID 11401873

IUPAC7-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1ccc2ccc(Cn3ccnc3)cc2o1
InChIInChI=1S/C13H10N2O2/c16-13-4-3-11-2-1-10(7-12(11)17-13)8-15-6-5-14-9-15/h1-7,9H,8H2
InChIKeyHXFIMHPPOABVMO-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.04
Rot. Bonds2

About 7-(imidazol-1-ylmethyl)chromen-2-one

7-(imidazol-1-ylmethyl)chromen-2-one (PubChem CID 11401873) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 7-(imidazol-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-(imidazol-1-ylmethyl)chromen-2-one
PubChem CID11401873
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name7-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1ccc2ccc(Cn3ccnc3)cc2o1
InChIInChI=1S/C13H10N2O2/c16-13-4-3-11-2-1-10(7-12(11)17-13)8-15-6-5-14-9-15/h1-7,9H,8H2
InChIKeyHXFIMHPPOABVMO-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(imidazol-1-ylmethyl)chromen-2-one?
The IUPAC name of 7-(imidazol-1-ylmethyl)chromen-2-one (CID 11401873) is 7-(imidazol-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-(imidazol-1-ylmethyl)chromen-2-one?
The canonical SMILES for 7-(imidazol-1-ylmethyl)chromen-2-one is O=c1ccc2ccc(Cn3ccnc3)cc2o1.
What is the InChIKey of 7-(imidazol-1-ylmethyl)chromen-2-one?
The InChIKey is HXFIMHPPOABVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13-4-3-11-2-1-10(7-12(11)17-13)8-15-6-5-14-9-15/h1-7,9H,8H2.
What are the key properties of 7-(imidazol-1-ylmethyl)chromen-2-one?
7-(imidazol-1-ylmethyl)chromen-2-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 7-(imidazol-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 11401873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).