4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one

C20H25N3O2 — CID 141377933

IUPAC4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(C3CC(CCn4ccnc4)CCO3)cc2)CN1
InChIInChI=1S/C20H25N3O2/c24-20-12-18(13-22-20)16-1-3-17(4-2-16)19-11-15(6-10-25-19)5-8-23-9-7-21-14-23/h1-4,7,9,14-15,18-19H,5-6,8,10-13H2,(H,22,24)
InChIKeyJZMQKYHKANQXCL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds5

About 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one

4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one (PubChem CID 141377933) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one
PubChem CID141377933
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one
SMILESO=C1CC(c2ccc(C3CC(CCn4ccnc4)CCO3)cc2)CN1
InChIInChI=1S/C20H25N3O2/c24-20-12-18(13-22-20)16-1-3-17(4-2-16)19-11-15(6-10-25-19)5-8-23-9-7-21-14-23/h1-4,7,9,14-15,18-19H,5-6,8,10-13H2,(H,22,24)
InChIKeyJZMQKYHKANQXCL-UHFFFAOYSA-N
XLogP3.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one (CID 141377933) is 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one is O=C1CC(c2ccc(C3CC(CCn4ccnc4)CCO3)cc2)CN1.
What is the InChIKey of 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one?
The InChIKey is JZMQKYHKANQXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20-12-18(13-22-20)16-1-3-17(4-2-16)19-11-15(6-10-25-19)5-8-23-9-7-21-14-23/h1-4,7,9,14-15,18-19H,5-6,8,10-13H2,(H,22,24).
What are the key properties of 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one?
4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-imidazol-1-ylethyl)oxan-2-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 141377933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).