1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole

C10H19N3 — CID 71428960

IUPAC1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole
SMILESCCN1C=CN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C10H19N3/c1-2-12-6-7-13(9-12)8-10-4-3-5-11-10/h6-7,10-11H,2-5,8-9H2,1H3/t10-/m0/s1
InChIKeyPIBRZJULBZPSPY-JTQLQIEISA-N
MW181.28 g/mol
LogP0.80
Rot. Bonds3

About 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole

1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole (PubChem CID 71428960) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole.

Molecular Properties

Compound Name1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole
PubChem CID71428960
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole
SMILESCCN1C=CN(C[C@@H]2CCCN2)C1
InChIInChI=1S/C10H19N3/c1-2-12-6-7-13(9-12)8-10-4-3-5-11-10/h6-7,10-11H,2-5,8-9H2,1H3/t10-/m0/s1
InChIKeyPIBRZJULBZPSPY-JTQLQIEISA-N
XLogP0.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole?
The IUPAC name of 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole (CID 71428960) is 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole.
What is the SMILES notation for 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole?
The canonical SMILES for 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole is CCN1C=CN(C[C@@H]2CCCN2)C1.
What is the InChIKey of 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole?
The InChIKey is PIBRZJULBZPSPY-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19N3/c1-2-12-6-7-13(9-12)8-10-4-3-5-11-10/h6-7,10-11H,2-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole?
1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole has a molecular weight of 181.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(2S)-pyrrolidin-2-yl]methyl]-2H-imidazole is sourced from PubChem (CID 71428960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).