1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride

C8H15Cl2N3 — CID 137346961

IUPAC1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride
SMILESCl.Cl.c1cn(C[C@@H]2CCCN2)cn1
InChIInChI=1S/C8H13N3.2ClH/c1-2-8(10-3-1)6-11-5-4-9-7-11;;/h4-5,7-8,10H,1-3,6H2;2*1H/t8-;;/m0../s1
InChIKeyYJKBWOVIFUIHAQ-JZGIKJSDSA-N
MW224.13 g/mol
LogP1.48
Rot. Bonds2

About 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride

1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride (PubChem CID 137346961) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride.

Molecular Properties

Compound Name1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride
PubChem CID137346961
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride
SMILESCl.Cl.c1cn(C[C@@H]2CCCN2)cn1
InChIInChI=1S/C8H13N3.2ClH/c1-2-8(10-3-1)6-11-5-4-9-7-11;;/h4-5,7-8,10H,1-3,6H2;2*1H/t8-;;/m0../s1
InChIKeyYJKBWOVIFUIHAQ-JZGIKJSDSA-N
XLogP1.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride?
The IUPAC name of 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride (CID 137346961) is 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride.
What is the SMILES notation for 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride?
The canonical SMILES for 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride is Cl.Cl.c1cn(C[C@@H]2CCCN2)cn1.
What is the InChIKey of 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride?
The InChIKey is YJKBWOVIFUIHAQ-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-2-8(10-3-1)6-11-5-4-9-7-11;;/h4-5,7-8,10H,1-3,6H2;2*1H/t8-;;/m0../s1.
What are the key properties of 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride?
1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-pyrrolidin-2-yl]methyl]imidazole;dihydrochloride is sourced from PubChem (CID 137346961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).