1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole

C13H14IN3 — CID 114716120

IUPAC1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
SMILESIc1cccc(-n2cncc2C2CCNC2)c1
InChIInChI=1S/C13H14IN3/c14-11-2-1-3-12(6-11)17-9-16-8-13(17)10-4-5-15-7-10/h1-3,6,8-10,15H,4-5,7H2
InChIKeyVBJRZYOYIUKAEE-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.55
Rot. Bonds2

About 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole

1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716120) has the molecular formula C13H14IN3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716120
Molecular FormulaC13H14IN3
Molecular Weight339.18 g/mol
Exact Mass339.02
IUPAC Name1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole
SMILESIc1cccc(-n2cncc2C2CCNC2)c1
InChIInChI=1S/C13H14IN3/c14-11-2-1-3-12(6-11)17-9-16-8-13(17)10-4-5-15-7-10/h1-3,6,8-10,15H,4-5,7H2
InChIKeyVBJRZYOYIUKAEE-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-butan-2-yloxyphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719747
3-bromo-5-(5-pyrrolidin-3-ylimidazol-1-yl)pyridine
CID 114223410
5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
CID 114716199
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
1-(4-methylsulfonylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114717611
3-[3-(3,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703474
5-pyrrolidin-3-yl-1-(2,4,5-trifluorophenyl)imidazole
CID 114720008
1-(2,4-difluorophenyl)-5-pyrrolidin-3-ylimidazole
CID 114716891
3-[3-(2,3-dihydro-1H-inden-5-yl)imidazol-4-yl]piperidine
CID 114702986
3-[3-(4-bromophenyl)imidazol-4-yl]piperidine
CID 114703751
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
1-(5-fluoro-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716903

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole (CID 114716120) is 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole is Ic1cccc(-n2cncc2C2CCNC2)c1.
What is the InChIKey of 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is VBJRZYOYIUKAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3/c14-11-2-1-3-12(6-11)17-9-16-8-13(17)10-4-5-15-7-10/h1-3,6,8-10,15H,4-5,7H2.
What are the key properties of 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole?
1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 339.18 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).