4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one

C14H15N3O — CID 66118016

IUPAC4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
SMILESCn1cncc1C1CC(=O)NC1c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17-9-15-8-12(17)11-7-13(18)16-14(11)10-5-3-2-4-6-10/h2-6,8-9,11,14H,7H2,1H3,(H,16,18)
InChIKeyVOCGKQQNVMOAOQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.76
Rot. Bonds2

About 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one

4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one (PubChem CID 66118016) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
PubChem CID66118016
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one
SMILESCn1cncc1C1CC(=O)NC1c1ccccc1
InChIInChI=1S/C14H15N3O/c1-17-9-15-8-12(17)11-7-13(18)16-14(11)10-5-3-2-4-6-10/h2-6,8-9,11,14H,7H2,1H3,(H,16,18)
InChIKeyVOCGKQQNVMOAOQ-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-6-(3-methylimidazol-4-yl)piperidin-2-one
CID 66118968
(5R,6R)-6-(3-methylimidazol-4-yl)-5-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]piperidin-2-one
CID 129483055
(5S,6R)-5,6-diphenylpiperidin-2-one
CID 67807202
5-amino-4,6-diphenylpiperidin-2-one
CID 19012812
4-(2,2-dimethylpropyl)-5-phenylpyrrolidin-2-one
CID 66102599
4-(5-methylfuran-2-yl)-5-phenylpyrrolidin-2-one
CID 66104830
5-benzyl-4-(3-propylimidazol-4-yl)pyrrolidin-2-one
CID 66129465
(3R,4S)-4-(3-methylimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 124510743
(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 97031037
(4R,5S)-4-amino-5-phenylpyrrolidin-2-one
CID 95435375
4-amino-5-phenylpyrrolidin-2-one
CID 75606920
(4S)-4-amino-5-phenylpyrrolidin-2-one;(4S,5R)-4-amino-5-phenylpyrrolidin-2-one
CID 158341952

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one (CID 66118016) is 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one is Cn1cncc1C1CC(=O)NC1c1ccccc1.
What is the InChIKey of 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one?
The InChIKey is VOCGKQQNVMOAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-17-9-15-8-12(17)11-7-13(18)16-14(11)10-5-3-2-4-6-10/h2-6,8-9,11,14H,7H2,1H3,(H,16,18).
What are the key properties of 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one?
4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazol-4-yl)-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 66118016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).