(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one

C18H23N3O — CID 95119754

IUPAC(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one
SMILESCCN1C[C@H](n2cnc(-c3ccccc3)c2C(C)C)CC1=O
InChIInChI=1S/C18H23N3O/c1-4-20-11-15(10-16(20)22)21-12-19-17(18(21)13(2)3)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t15-/m1/s1
InChIKeyZBNVICJVDMMNKD-OAHLLOKOSA-N
MW297.40 g/mol
LogP3.47
Rot. Bonds4

About (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one

(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one (PubChem CID 95119754) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one
PubChem CID95119754
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one
SMILESCCN1C[C@H](n2cnc(-c3ccccc3)c2C(C)C)CC1=O
InChIInChI=1S/C18H23N3O/c1-4-20-11-15(10-16(20)22)21-12-19-17(18(21)13(2)3)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t15-/m1/s1
InChIKeyZBNVICJVDMMNKD-OAHLLOKOSA-N
XLogP3.47
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one (CID 95119754) is (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one is CCN1C[C@H](n2cnc(-c3ccccc3)c2C(C)C)CC1=O.
What is the InChIKey of (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one?
The InChIKey is ZBNVICJVDMMNKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-20-11-15(10-16(20)22)21-12-19-17(18(21)13(2)3)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3/t15-/m1/s1.
What are the key properties of (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one?
(4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-4-(4-phenyl-5-propan-2-ylimidazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 95119754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).