3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one

C22H23FN4O2 — CID 67701484

IUPAC3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(NCc3ccccc3F)C2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H23FN4O2/c1-15-13-26(14-25-15)20-8-7-17(11-21(20)29-2)27-10-9-19(22(27)28)24-12-16-5-3-4-6-18(16)23/h3-8,11,13-14,19,24H,9-10,12H2,1-2H3
InChIKeyIEIDENYRGWRADP-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.22
Rot. Bonds6

About 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one

3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one (PubChem CID 67701484) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
PubChem CID67701484
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
SMILESCOc1cc(N2CCC(NCc3ccccc3F)C2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H23FN4O2/c1-15-13-26(14-25-15)20-8-7-17(11-21(20)29-2)27-10-9-19(22(27)28)24-12-16-5-3-4-6-18(16)23/h3-8,11,13-14,19,24H,9-10,12H2,1-2H3
InChIKeyIEIDENYRGWRADP-UHFFFAOYSA-N
XLogP3.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one (CID 67701484) is 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one is COc1cc(N2CCC(NCc3ccccc3F)C2=O)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
The InChIKey is IEIDENYRGWRADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-15-13-26(14-25-15)20-8-7-17(11-21(20)29-2)27-10-9-19(22(27)28)24-12-16-5-3-4-6-18(16)23/h3-8,11,13-14,19,24H,9-10,12H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one?
3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one has a molecular weight of 394.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]-1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 67701484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).