4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one

C17H20FN3O — CID 45180664

IUPAC4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2ncc(-c3cccc(F)c3)[nH]2)CC1=O
InChIInChI=1S/C17H20FN3O/c1-11(2)9-21-10-13(7-16(21)22)17-19-8-15(20-17)12-4-3-5-14(18)6-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyPQSFYFWFXIOAGA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.19
Rot. Bonds4

About 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one

4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 45180664) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
PubChem CID45180664
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CN1CC(c2ncc(-c3cccc(F)c3)[nH]2)CC1=O
InChIInChI=1S/C17H20FN3O/c1-11(2)9-21-10-13(7-16(21)22)17-19-8-15(20-17)12-4-3-5-14(18)6-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyPQSFYFWFXIOAGA-UHFFFAOYSA-N
XLogP3.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one (CID 45180664) is 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one is CC(C)CN1CC(c2ncc(-c3cccc(F)c3)[nH]2)CC1=O.
What is the InChIKey of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is PQSFYFWFXIOAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-11(2)9-21-10-13(7-16(21)22)17-19-8-15(20-17)12-4-3-5-14(18)6-12/h3-6,8,11,13H,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one?
4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 301.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 45180664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).