2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one

C16H9FN2O2 — CID 66645337

IUPAC2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C16H9FN2O2/c17-10-7-5-9(6-8-10)15-18-13-11-3-1-2-4-12(11)21-16(20)14(13)19-15/h1-8H,(H,18,19)
InChIKeyTZRXCDJMVRRPMD-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.48
Rot. Bonds1

About 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one

2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one (PubChem CID 66645337) has the molecular formula C16H9FN2O2 and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one
PubChem CID66645337
Molecular FormulaC16H9FN2O2
Molecular Weight280.26 g/mol
Exact Mass280.06
IUPAC Name2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one
SMILESO=c1oc2ccccc2c2nc(-c3ccc(F)cc3)[nH]c12
InChIInChI=1S/C16H9FN2O2/c17-10-7-5-9(6-8-10)15-18-13-11-3-1-2-4-12(11)21-16(20)14(13)19-15/h1-8H,(H,18,19)
InChIKeyTZRXCDJMVRRPMD-UHFFFAOYSA-N
XLogP3.48
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one (CID 66645337) is 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one is O=c1oc2ccccc2c2nc(-c3ccc(F)cc3)[nH]c12.
What is the InChIKey of 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one?
The InChIKey is TZRXCDJMVRRPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN2O2/c17-10-7-5-9(6-8-10)15-18-13-11-3-1-2-4-12(11)21-16(20)14(13)19-15/h1-8H,(H,18,19).
What are the key properties of 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one?
2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one has a molecular weight of 280.26 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3H-chromeno[3,4-d]imidazol-4-one is sourced from PubChem (CID 66645337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).