5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride

C13H17Cl2N3 — CID 50988275

IUPAC5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C13H15N3.2ClH/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11;;/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16);2*1H
InChIKeyUKFKTWLJAOZZPE-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.34
Rot. Bonds2

About 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride

5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride (PubChem CID 50988275) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
PubChem CID50988275
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1ccc(-c2cnc(C3CCCN3)[nH]2)cc1
InChIInChI=1S/C13H15N3.2ClH/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11;;/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16);2*1H
InChIKeyUKFKTWLJAOZZPE-UHFFFAOYSA-N
XLogP3.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride?
The IUPAC name of 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride (CID 50988275) is 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride.
What is the SMILES notation for 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride?
The canonical SMILES for 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride is Cl.Cl.c1ccc(-c2cnc(C3CCCN3)[nH]2)cc1.
What is the InChIKey of 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride?
The InChIKey is UKFKTWLJAOZZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.2ClH/c1-2-5-10(6-3-1)12-9-15-13(16-12)11-7-4-8-14-11;;/h1-3,5-6,9,11,14H,4,7-8H2,(H,15,16);2*1H.
What are the key properties of 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride?
5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride has a molecular weight of 286.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-pyrrolidin-2-yl-1H-imidazole;dihydrochloride is sourced from PubChem (CID 50988275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).