[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

C15H15F2N3O2 — CID 128990266

IUPAC[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CC(O)CC2c2cc(F)ccc2F)c1
InChIInChI=1S/C15H15F2N3O2/c1-19-7-13(18-8-19)15(22)20-6-10(21)5-14(20)11-4-9(16)2-3-12(11)17/h2-4,7-8,10,14,21H,5-6H2,1H3
InChIKeyLIOOJUVKDJYPSN-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.65
Rot. Bonds2

About [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone

[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 128990266) has the molecular formula C15H15F2N3O2 and a molecular weight of 307.30 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID128990266
Molecular FormulaC15H15F2N3O2
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CC(O)CC2c2cc(F)ccc2F)c1
InChIInChI=1S/C15H15F2N3O2/c1-19-7-13(18-8-19)15(22)20-6-10(21)5-14(20)11-4-9(16)2-3-12(11)17/h2-4,7-8,10,14,21H,5-6H2,1H3
InChIKeyLIOOJUVKDJYPSN-UHFFFAOYSA-N
XLogP1.65
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone (CID 128990266) is [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CC(O)CC2c2cc(F)ccc2F)c1.
What is the InChIKey of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is LIOOJUVKDJYPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O2/c1-19-7-13(18-8-19)15(22)20-6-10(21)5-14(20)11-4-9(16)2-3-12(11)17/h2-4,7-8,10,14,21H,5-6H2,1H3.
What are the key properties of [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone?
[2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 307.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 128990266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).