5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

C13H14IN3 — CID 124681351

IUPAC5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESIc1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C13H14IN3/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2,(H,16,17)/t11-/m0/s1
InChIKeyXIXOHPXIEZPXTG-NSHDSACASA-N
MW339.18 g/mol
LogP3.11
Rot. Bonds2

About 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole

5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (PubChem CID 124681351) has the molecular formula C13H14IN3 and a molecular weight of 339.18 g/mol. Its IUPAC name is 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
PubChem CID124681351
Molecular FormulaC13H14IN3
Molecular Weight339.18 g/mol
Exact Mass339.02
IUPAC Name5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
SMILESIc1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1
InChIInChI=1S/C13H14IN3/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2,(H,16,17)/t11-/m0/s1
InChIKeyXIXOHPXIEZPXTG-NSHDSACASA-N
XLogP3.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)benzonitrile
CID 43650678
2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyridine
CID 24950799
2-[5-(4-bromophenyl)-1H-imidazol-2-yl]piperidine
CID 43651125
2-[(2S)-pyrrolidin-2-yl]-5-[4-[2-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]ethyl]phenyl]-1H-imidazole
CID 67003843
CID 144634079
CID 144634079
2-pyrrolidin-2-yl-5-[4-[4-(5-pyrrolidin-2-yl-1H-imidazol-2-yl)phenyl]phenyl]-1H-imidazole
CID 91301281
5-(4-ethoxyphenyl)-2-pyrrolidin-2-yl-1H-imidazole
CID 43650691
5-[4-(5-bromothiophen-2-yl)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 150236542
5-(4-azidophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole
CID 71580527
2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 58209611
2-[5-(4-propan-2-ylphenyl)-1H-imidazol-2-yl]piperidine
CID 43651056
2-[(2S)-pyrrolidin-2-yl]-6-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-benzimidazole
CID 59450040

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole (CID 124681351) is 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is Ic1ccc(-c2cnc([C@@H]3CCCN3)[nH]2)cc1.
What is the InChIKey of 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
The InChIKey is XIXOHPXIEZPXTG-NSHDSACASA-N. The full InChI is InChI=1S/C13H14IN3/c14-10-5-3-9(4-6-10)12-8-16-13(17-12)11-2-1-7-15-11/h3-6,8,11,15H,1-2,7H2,(H,16,17)/t11-/m0/s1.
What are the key properties of 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole?
5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole has a molecular weight of 339.18 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodophenyl)-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 124681351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).