[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol

C16H19N3O3 — CID 154821234

IUPAC[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc2c(cc1-c1nccn1[C@H]1CN[C@H](CO)C1)OCO2
InChIInChI=1S/C16H19N3O3/c1-10-4-14-15(22-9-21-14)6-13(10)16-17-2-3-19(16)12-5-11(8-20)18-7-12/h2-4,6,11-12,18,20H,5,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyVIIXAMMHUVOASA-NWDGAFQWSA-N
MW301.35 g/mol
LogP1.48
Rot. Bonds3

About [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol

[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol (PubChem CID 154821234) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
PubChem CID154821234
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol
SMILESCc1cc2c(cc1-c1nccn1[C@H]1CN[C@H](CO)C1)OCO2
InChIInChI=1S/C16H19N3O3/c1-10-4-14-15(22-9-21-14)6-13(10)16-17-2-3-19(16)12-5-11(8-20)18-7-12/h2-4,6,11-12,18,20H,5,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyVIIXAMMHUVOASA-NWDGAFQWSA-N
XLogP1.48
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol (CID 154821234) is [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol is Cc1cc2c(cc1-c1nccn1[C@H]1CN[C@H](CO)C1)OCO2.
What is the InChIKey of [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
The InChIKey is VIIXAMMHUVOASA-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-4-14-15(22-9-21-14)6-13(10)16-17-2-3-19(16)12-5-11(8-20)18-7-12/h2-4,6,11-12,18,20H,5,7-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol?
[(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol has a molecular weight of 301.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-[2-(6-methyl-1,3-benzodioxol-5-yl)imidazol-1-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 154821234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).