3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol

C12H19F2N3O — CID 62467620

IUPAC3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-7-5-15-11(17)9-16-6-1-3-10(16)4-2-8-18/h5,7,10,12,18H,1-4,6,8-9H2
InChIKeyZOPXJUSDXYNNIY-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.02
Rot. Bonds6

About 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62467620) has the molecular formula C12H19F2N3O and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62467620
Molecular FormulaC12H19F2N3O
Molecular Weight259.30 g/mol
Exact Mass259.15
IUPAC Name3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1Cc1nccn1C(F)F
InChIInChI=1S/C12H19F2N3O/c13-12(14)17-7-5-15-11(17)9-16-6-1-3-10(16)4-2-8-18/h5,7,10,12,18H,1-4,6,8-9H2
InChIKeyZOPXJUSDXYNNIY-UHFFFAOYSA-N
XLogP2.02
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol (CID 62467620) is 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1Cc1nccn1C(F)F.
What is the InChIKey of 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is ZOPXJUSDXYNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3O/c13-12(14)17-7-5-15-11(17)9-16-6-1-3-10(16)4-2-8-18/h5,7,10,12,18H,1-4,6,8-9H2.
What are the key properties of 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62467620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).