7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one

C19H12F2N2O3 — CID 51356252

IUPAC7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1
InChIInChI=1S/C19H12F2N2O3/c20-16-4-2-13(8-17(16)21)25-14-1-3-15-12(10-23-6-5-22-11-23)7-19(24)26-18(15)9-14/h1-9,11H,10H2
InChIKeyHUXMMWKRIINTDW-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.11
Rot. Bonds4

About 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one

7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one (PubChem CID 51356252) has the molecular formula C19H12F2N2O3 and a molecular weight of 354.31 g/mol. Its IUPAC name is 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
PubChem CID51356252
Molecular FormulaC19H12F2N2O3
Molecular Weight354.31 g/mol
Exact Mass354.08
IUPAC Name7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one
SMILESO=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1
InChIInChI=1S/C19H12F2N2O3/c20-16-4-2-13(8-17(16)21)25-14-1-3-15-12(10-23-6-5-22-11-23)7-19(24)26-18(15)9-14/h1-9,11H,10H2
InChIKeyHUXMMWKRIINTDW-UHFFFAOYSA-N
XLogP4.11
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
The IUPAC name of 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one (CID 51356252) is 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one.
What is the SMILES notation for 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
The canonical SMILES for 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one is O=c1cc(Cn2ccnc2)c2ccc(Oc3ccc(F)c(F)c3)cc2o1.
What is the InChIKey of 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
The InChIKey is HUXMMWKRIINTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N2O3/c20-16-4-2-13(8-17(16)21)25-14-1-3-15-12(10-23-6-5-22-11-23)7-19(24)26-18(15)9-14/h1-9,11H,10H2.
What are the key properties of 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one?
7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one has a molecular weight of 354.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenoxy)-4-(imidazol-1-ylmethyl)chromen-2-one is sourced from PubChem (CID 51356252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).