(4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone

C16H13FN2O — CID 777298

IUPAC(4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN=C1c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyKEKPQDLZPKKULU-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.73
Rot. Bonds2

About (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone

(4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 777298) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID777298
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name(4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN=C1c1ccccc1
InChIInChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyKEKPQDLZPKKULU-UHFFFAOYSA-N
XLogP2.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone (CID 777298) is (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is O=C(c1ccc(F)cc1)N1CCN=C1c1ccccc1.
What is the InChIKey of (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is KEKPQDLZPKKULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c17-14-8-6-13(7-9-14)16(20)19-11-10-18-15(19)12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone?
(4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 268.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(2-phenyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 777298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).