[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol

C12H19N3O2 — CID 116882697

IUPAC[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
SMILESCN1CCC(c2cnc(C3(CO)COC3)[nH]2)C1
InChIInChI=1S/C12H19N3O2/c1-15-3-2-9(5-15)10-4-13-11(14-10)12(6-16)7-17-8-12/h4,9,16H,2-3,5-8H2,1H3,(H,13,14)
InChIKeyNXBSDAKWEDFGMO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.09
Rot. Bonds3

About [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol

[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol (PubChem CID 116882697) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
PubChem CID116882697
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
SMILESCN1CCC(c2cnc(C3(CO)COC3)[nH]2)C1
InChIInChI=1S/C12H19N3O2/c1-15-3-2-9(5-15)10-4-13-11(14-10)12(6-16)7-17-8-12/h4,9,16H,2-3,5-8H2,1H3,(H,13,14)
InChIKeyNXBSDAKWEDFGMO-UHFFFAOYSA-N
XLogP0.09
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The IUPAC name of [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol (CID 116882697) is [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol is CN1CCC(c2cnc(C3(CO)COC3)[nH]2)C1.
What is the InChIKey of [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
The InChIKey is NXBSDAKWEDFGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-3-2-9(5-15)10-4-13-11(14-10)12(6-16)7-17-8-12/h4,9,16H,2-3,5-8H2,1H3,(H,13,14).
What are the key properties of [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol?
[3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]oxetan-3-yl]methanol is sourced from PubChem (CID 116882697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).