2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine

C12H14N4 — CID 95846351

IUPAC2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine
SMILESc1cn(-c2cc([C@H]3CCCN3)ccn2)cn1
InChIInChI=1S/C12H14N4/c1-2-11(14-4-1)10-3-5-15-12(8-10)16-7-6-13-9-16/h3,5-9,11,14H,1-2,4H2/t11-/m1/s1
InChIKeyIVAMHHWSGYYGJF-LLVKDONJSA-N
MW214.27 g/mol
LogP1.69
Rot. Bonds2

About 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine

2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine (PubChem CID 95846351) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine
PubChem CID95846351
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine
SMILESc1cn(-c2cc([C@H]3CCCN3)ccn2)cn1
InChIInChI=1S/C12H14N4/c1-2-11(14-4-1)10-3-5-15-12(8-10)16-7-6-13-9-16/h3,5-9,11,14H,1-2,4H2/t11-/m1/s1
InChIKeyIVAMHHWSGYYGJF-LLVKDONJSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine?
The IUPAC name of 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine (CID 95846351) is 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine is c1cn(-c2cc([C@H]3CCCN3)ccn2)cn1.
What is the InChIKey of 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine?
The InChIKey is IVAMHHWSGYYGJF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-11(14-4-1)10-3-5-15-12(8-10)16-7-6-13-9-16/h3,5-9,11,14H,1-2,4H2/t11-/m1/s1.
What are the key properties of 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine?
2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine has a molecular weight of 214.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-4-[(2R)-pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 95846351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).