[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide

C23H26INO2 — CID 44627743

IUPAC[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide
SMILESC[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1.[I-]
InChIInChI=1S/C23H26NO2.HI/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,15-16,20,25H,9,14,17H2,1-2H3;1H/q+1;/p-1
InChIKeyKVJBFFFRSBLVFJ-UHFFFAOYSA-M
MW475.37 g/mol
LogP1.48
Rot. Bonds4

About [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide

[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide (PubChem CID 44627743) has the molecular formula C23H26INO2 and a molecular weight of 475.37 g/mol. Its IUPAC name is [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide.

Molecular Properties

Compound Name[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide
PubChem CID44627743
Molecular FormulaC23H26INO2
Molecular Weight475.37 g/mol
Exact Mass475.10
IUPAC Name[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide
SMILESC[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1.[I-]
InChIInChI=1S/C23H26NO2.HI/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,15-16,20,25H,9,14,17H2,1-2H3;1H/q+1;/p-1
InChIKeyKVJBFFFRSBLVFJ-UHFFFAOYSA-M
XLogP1.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide 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

(R)-cyclohexyl-[5-[(2R)-1,1-dimethylpyrrolidin-1-ium-2-yl]furan-2-yl]-phenylmethanol iodide
CID 44627857
[5-(1-Methylpyrrolidin-2-yl)furan-2-yl]-diphenylmethanol
CID 44627739
Cyclohexyl-[5-(1-methylpyrrolidin-2-yl)furan-2-yl]-phenylmethanol
CID 44627740
2-(5-Benzhydrylfuran-2-yl)-1-methylpyrrolidine
CID 44627741
2-[5-[Cyclohexyl(phenyl)methyl]furan-2-yl]-1-methylpyrrolidine
CID 44627742
Cyclohexyl-[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-phenylmethanol iodide
CID 44627745
2-(5-Benzhydrylfuran-2-yl)-1,1-dimethylpyrrolidin-1-ium iodide
CID 44627747
2-[5-[Cyclohexyl(phenyl)methyl]furan-2-yl]-1,1-dimethylpyrrolidin-1-ium iodide
CID 44627851
(R)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
CID 44627853
(R)-cyclohexyl-[5-[(2S)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
CID 44627854
(S)-cyclohexyl-[5-[(2R)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
CID 44627855
(R)-cyclohexyl-[5-[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]furan-2-yl]-phenylmethanol iodide
CID 44627859

Frequently Asked Questions

What is the IUPAC name of [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide?
The IUPAC name of [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide (CID 44627743) is [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide.
What is the SMILES notation for [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide?
The canonical SMILES for [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide is C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1.[I-].
What is the InChIKey of [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide?
The InChIKey is KVJBFFFRSBLVFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H26NO2.HI/c1-24(2)17-9-14-20(24)21-15-16-22(26-21)23(25,18-10-5-3-6-11-18)19-12-7-4-8-13-19;/h3-8,10-13,15-16,20,25H,9,14,17H2,1-2H3;1H/q+1;/p-1.
What are the key properties of [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide?
[5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide has a molecular weight of 475.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-dimethylpyrrolidin-1-ium-2-yl)furan-2-yl]-diphenylmethanol iodide is sourced from PubChem (CID 44627743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).