4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine

C12H14N4 — CID 104942033

IUPAC4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
SMILESc1cc(-n2cncc2[C@@H]2CCCN2)ccn1
InChIInChI=1S/C12H14N4/c1-2-11(15-5-1)12-8-14-9-16(12)10-3-6-13-7-4-10/h3-4,6-9,11,15H,1-2,5H2/t11-/m0/s1
InChIKeyOVTBBGYRWNPRJI-NSHDSACASA-N
MW214.27 g/mol
LogP1.69
Rot. Bonds2

About 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine

4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine (PubChem CID 104942033) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
PubChem CID104942033
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine
SMILESc1cc(-n2cncc2[C@@H]2CCCN2)ccn1
InChIInChI=1S/C12H14N4/c1-2-11(15-5-1)12-8-14-9-16(12)10-3-6-13-7-4-10/h3-4,6-9,11,15H,1-2,5H2/t11-/m0/s1
InChIKeyOVTBBGYRWNPRJI-NSHDSACASA-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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Related Compounds

1-phenyl-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942009
3-(5-pyrrolidin-2-ylimidazol-1-yl)pyridine
CID 114703701
[4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]methanol
CID 104943673
1-(4-methylsulfanylphenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941741
1-(4-propylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114702494
1-[4-(difluoromethoxy)phenyl]-5-pyrrolidin-2-ylimidazole
CID 114703835
1-(4-propan-2-yloxyphenyl)-5-pyrrolidin-2-ylimidazole
CID 114704020
5-pyrrolidin-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 114703043
1-(1,3-benzodioxol-5-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941461
1-(4-bromo-3-fluorophenyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943237
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
1-(2-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703790

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine?
The IUPAC name of 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine (CID 104942033) is 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine.
What is the SMILES notation for 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine?
The canonical SMILES for 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine is c1cc(-n2cncc2[C@@H]2CCCN2)ccn1.
What is the InChIKey of 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine?
The InChIKey is OVTBBGYRWNPRJI-NSHDSACASA-N. The full InChI is InChI=1S/C12H14N4/c1-2-11(15-5-1)12-8-14-9-16(12)10-3-6-13-7-4-10/h3-4,6-9,11,15H,1-2,5H2/t11-/m0/s1.
What are the key properties of 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine?
4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-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 4-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]pyridine is sourced from PubChem (CID 104942033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).