1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide

C17H24IN3O2 — CID 166350932

IUPAC1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide
SMILESI.c1ccc(CN2CCN=C2N2CCC(C3OCCO3)C2)cc1
InChIInChI=1S/C17H23N3O2.HI/c1-2-4-14(5-3-1)12-20-9-7-18-17(20)19-8-6-15(13-19)16-21-10-11-22-16;/h1-5,15-16H,6-13H2;1H
InChIKeyFGLPHZAHYAODGT-UHFFFAOYSA-N
MW429.30 g/mol
LogP2.17
Rot. Bonds3

About 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide

1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide (PubChem CID 166350932) has the molecular formula C17H24IN3O2 and a molecular weight of 429.30 g/mol. Its IUPAC name is 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide.

Molecular Properties

Compound Name1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide
PubChem CID166350932
Molecular FormulaC17H24IN3O2
Molecular Weight429.30 g/mol
Exact Mass429.09
IUPAC Name1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide
SMILESI.c1ccc(CN2CCN=C2N2CCC(C3OCCO3)C2)cc1
InChIInChI=1S/C17H23N3O2.HI/c1-2-4-14(5-3-1)12-20-9-7-18-17(20)19-8-6-15(13-19)16-21-10-11-22-16;/h1-5,15-16H,6-13H2;1H
InChIKeyFGLPHZAHYAODGT-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(1-benzyl-4,5-dihydroimidazol-2-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine;hydroiodide
CID 166351025
1-(1-benzyl-4,5-dihydroimidazol-2-yl)-N-phenylpiperidine-3-sulfonamide;hydroiodide
CID 166350730
1-benzyl-4-(1,3-dioxolan-2-yl)piperidine
CID 72714001
2-azabicyclo[2.2.1]heptan-2-yl-[1-(1-benzyl-4,5-dihydroimidazol-2-yl)piperidin-3-yl]methanone;hydroiodide
CID 166350868
1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole
CID 86006012
(5aS,9aR)-8-phenyl-4-(pyridin-4-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 124911446
1-benzyl-3-(1-benzylpiperidin-4-yl)azetidin-2-one
CID 10382254
3-benzyl-3-azabicyclo[3.2.0]heptane
CID 70581599
(1R,6R)-3-benzyl-7-oxa-3-azabicyclo[4.2.0]octane
CID 71244864
(4aR,8aR)-4-benzyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 86634407
3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine
CID 11747457
4-benzyl-6-piperidin-4-ylmorpholin-3-one
CID 115067805

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide?
The IUPAC name of 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide (CID 166350932) is 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide.
What is the SMILES notation for 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide?
The canonical SMILES for 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide is I.c1ccc(CN2CCN=C2N2CCC(C3OCCO3)C2)cc1.
What is the InChIKey of 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide?
The InChIKey is FGLPHZAHYAODGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.HI/c1-2-4-14(5-3-1)12-20-9-7-18-17(20)19-8-6-15(13-19)16-21-10-11-22-16;/h1-5,15-16H,6-13H2;1H.
What are the key properties of 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide?
1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide has a molecular weight of 429.30 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-4,5-dihydroimidazole;hydroiodide is sourced from PubChem (CID 166350932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).