5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile

C20H24FN3O — CID 70507783

IUPAC5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)C(Cc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C20H24FN3O/c1-3-9-20(14-22,10-4-2)19(25)18(24-12-11-23-15-24)13-16-5-7-17(21)8-6-16/h5-8,11-12,15,18H,3-4,9-10,13H2,1-2H3
InChIKeyMMGVQOQBJYGZHR-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.49
Rot. Bonds9

About 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile

5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile (PubChem CID 70507783) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile
PubChem CID70507783
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)C(Cc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C20H24FN3O/c1-3-9-20(14-22,10-4-2)19(25)18(24-12-11-23-15-24)13-16-5-7-17(21)8-6-16/h5-8,11-12,15,18H,3-4,9-10,13H2,1-2H3
InChIKeyMMGVQOQBJYGZHR-UHFFFAOYSA-N
XLogP4.49
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile?
The IUPAC name of 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile (CID 70507783) is 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile.
What is the SMILES notation for 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile?
The canonical SMILES for 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile is CCCC(C#N)(CCC)C(=O)C(Cc1ccc(F)cc1)n1ccnc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile?
The InChIKey is MMGVQOQBJYGZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-3-9-20(14-22,10-4-2)19(25)18(24-12-11-23-15-24)13-16-5-7-17(21)8-6-16/h5-8,11-12,15,18H,3-4,9-10,13H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile?
5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile has a molecular weight of 341.43 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-imidazol-1-yl-3-oxo-2,2-dipropylpentanenitrile is sourced from PubChem (CID 70507783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).