(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

C16H18FN3O — CID 31043406

IUPAC(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](c2ncc(-c3cccc(F)c3)[nH]2)CC1=O
InChIInChI=1S/C16H18FN3O/c1-10(2)20-9-12(7-15(20)21)16-18-8-14(19-16)11-4-3-5-13(17)6-11/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYAZCKTLCXUSTGM-LBPRGKRZSA-N
MW287.34 g/mol
LogP2.94
Rot. Bonds3

About (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 31043406) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID31043406
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](c2ncc(-c3cccc(F)c3)[nH]2)CC1=O
InChIInChI=1S/C16H18FN3O/c1-10(2)20-9-12(7-15(20)21)16-18-8-14(19-16)11-4-3-5-13(17)6-11/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYAZCKTLCXUSTGM-LBPRGKRZSA-N
XLogP2.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (CID 31043406) is (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C[C@@H](c2ncc(-c3cccc(F)c3)[nH]2)CC1=O.
What is the InChIKey of (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is YAZCKTLCXUSTGM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-10(2)20-9-12(7-15(20)21)16-18-8-14(19-16)11-4-3-5-13(17)6-11/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 287.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 31043406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).