N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide

C26H24FN3O — CID 46089570

IUPACN-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1)c1ccccc1
InChIInChI=1S/C26H24FN3O/c1-2-23(19-8-4-3-5-9-19)26(31)29-16-18-7-6-10-21(15-18)25-28-17-24(30-25)20-11-13-22(27)14-12-20/h3-15,17,23H,2,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyWSZHJHYSKOGNRT-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.69
Rot. Bonds7

About N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide

N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide (PubChem CID 46089570) has the molecular formula C26H24FN3O and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
PubChem CID46089570
Molecular FormulaC26H24FN3O
Molecular Weight413.50 g/mol
Exact Mass413.19
IUPAC NameN-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1)c1ccccc1
InChIInChI=1S/C26H24FN3O/c1-2-23(19-8-4-3-5-9-19)26(31)29-16-18-7-6-10-21(15-18)25-28-17-24(30-25)20-11-13-22(27)14-12-20/h3-15,17,23H,2,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyWSZHJHYSKOGNRT-UHFFFAOYSA-N
XLogP5.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The IUPAC name of N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide (CID 46089570) is N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The canonical SMILES for N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide is CCC(C(=O)NCc1cccc(-c2ncc(-c3ccc(F)cc3)[nH]2)c1)c1ccccc1.
What is the InChIKey of N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
The InChIKey is WSZHJHYSKOGNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O/c1-2-23(19-8-4-3-5-9-19)26(31)29-16-18-7-6-10-21(15-18)25-28-17-24(30-25)20-11-13-22(27)14-12-20/h3-15,17,23H,2,16H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide?
N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide has a molecular weight of 413.50 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]phenyl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 46089570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).