4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one

C9H11F2N3O — CID 67394251

IUPAC4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)F)CN1Cn1ccnc1
InChIInChI=1S/C9H11F2N3O/c10-9(11)7-3-8(15)14(4-7)6-13-2-1-12-5-13/h1-2,5,7,9H,3-4,6H2
InChIKeyPDRZTFFCTWWZMJ-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.95
Rot. Bonds3

About 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one

4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one (PubChem CID 67394251) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
PubChem CID67394251
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one
SMILESO=C1CC(C(F)F)CN1Cn1ccnc1
InChIInChI=1S/C9H11F2N3O/c10-9(11)7-3-8(15)14(4-7)6-13-2-1-12-5-13/h1-2,5,7,9H,3-4,6H2
InChIKeyPDRZTFFCTWWZMJ-UHFFFAOYSA-N
XLogP0.95
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(Heptafluorobutyryl)imidazole
CID 94431
1-(2,2,3,3,3-Pentafluoro-1-oxopropyl)-1H-imidazole
CID 100821
1-[4-(2-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065550
1-Butyrylimidazole
CID 643404
1-(4-Imidazol-1-ylbut-2-ynyl)pyrrolidin-2-one
CID 15065548
1-[4-(2-Ethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065551
1-(5-Imidazol-1-ylpent-3-yn-2-yl)pyrrolidin-2-one
CID 15065584
1-(pyrrolidine-1-carbonyl)-1H-imidazole
CID 12185907
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
1-Ethenyl-3-methylimidazol-3-ium;1-ethenylpyrrolidin-2-one;chloride
CID 163647
N-vinylimidazole N-vinylpyrrolidinone
CID 21583951
2,2-Difluoro-1-imidazol-1-ylpropan-1-one
CID 58341600

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one (CID 67394251) is 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one is O=C1CC(C(F)F)CN1Cn1ccnc1.
What is the InChIKey of 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
The InChIKey is PDRZTFFCTWWZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c10-9(11)7-3-8(15)14(4-7)6-13-2-1-12-5-13/h1-2,5,7,9H,3-4,6H2.
What are the key properties of 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one?
4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one has a molecular weight of 215.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(imidazol-1-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 67394251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).