1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole

C13H13ClIN3 — CID 107641180

IUPAC1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
SMILESClc1ccc(-n2cncc2C2CCCN2)c(I)c1
InChIInChI=1S/C13H13ClIN3/c14-9-3-4-12(10(15)6-9)18-8-16-7-13(18)11-2-1-5-17-11/h3-4,6-8,11,17H,1-2,5H2
InChIKeyMZEPHHSISHMBIW-UHFFFAOYSA-N
MW373.63 g/mol
LogP3.55
Rot. Bonds2

About 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole

1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 107641180) has the molecular formula C13H13ClIN3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
PubChem CID107641180
Molecular FormulaC13H13ClIN3
Molecular Weight373.63 g/mol
Exact Mass372.98
IUPAC Name1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole
SMILESClc1ccc(-n2cncc2C2CCCN2)c(I)c1
InChIInChI=1S/C13H13ClIN3/c14-9-3-4-12(10(15)6-9)18-8-16-7-13(18)11-2-1-5-17-11/h3-4,6-8,11,17H,1-2,5H2
InChIKeyMZEPHHSISHMBIW-UHFFFAOYSA-N
XLogP3.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.63
LogP ≤ 53.55
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

2-[3-(2-chloro-4-iodophenyl)imidazol-4-yl]piperidine
CID 107608546
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
2-[3-(2,3,4-trifluorophenyl)imidazol-4-yl]piperidine
CID 114702951
2-[3-(2,4-difluorophenyl)imidazol-4-yl]piperidine
CID 114703279
1-(2-chloro-5-methoxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704542
(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
CID 130648802
1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
CID 104942033
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
2-[3-(3-bromo-4-fluorophenyl)imidazol-4-yl]piperidine
CID 114707633
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole (CID 107641180) is 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole is Clc1ccc(-n2cncc2C2CCCN2)c(I)c1.
What is the InChIKey of 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is MZEPHHSISHMBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3/c14-9-3-4-12(10(15)6-9)18-8-16-7-13(18)11-2-1-5-17-11/h3-4,6-8,11,17H,1-2,5H2.
What are the key properties of 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole?
1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 373.63 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-iodophenyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 107641180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).