(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one

C21H20FN3O2 — CID 31192333

IUPAC(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1C[C@H](c2ncc(-c3ccccc3F)[nH]2)CC1=O
InChIInChI=1S/C21H20FN3O2/c1-27-19-9-5-2-6-14(19)12-25-13-15(10-20(25)26)21-23-11-18(24-21)16-7-3-4-8-17(16)22/h2-9,11,15H,10,12-13H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyITCPESJPNNVFPK-OAHLLOKOSA-N
MW365.41 g/mol
LogP3.74
Rot. Bonds5

About (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one

(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 31192333) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID31192333
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccccc1CN1C[C@H](c2ncc(-c3ccccc3F)[nH]2)CC1=O
InChIInChI=1S/C21H20FN3O2/c1-27-19-9-5-2-6-14(19)12-25-13-15(10-20(25)26)21-23-11-18(24-21)16-7-3-4-8-17(16)22/h2-9,11,15H,10,12-13H2,1H3,(H,23,24)/t15-/m1/s1
InChIKeyITCPESJPNNVFPK-OAHLLOKOSA-N
XLogP3.74
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one (CID 31192333) is (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccccc1CN1C[C@H](c2ncc(-c3ccccc3F)[nH]2)CC1=O.
What is the InChIKey of (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is ITCPESJPNNVFPK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-19-9-5-2-6-14(19)12-25-13-15(10-20(25)26)21-23-11-18(24-21)16-7-3-4-8-17(16)22/h2-9,11,15H,10,12-13H2,1H3,(H,23,24)/t15-/m1/s1.
What are the key properties of (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one?
(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 365.41 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 31192333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).