1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole

C12H21N3O — CID 114707453

IUPAC1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
SMILESCCOC(C)Cn1cncc1C1CCCN1
InChIInChI=1S/C12H21N3O/c1-3-16-10(2)8-15-9-13-7-12(15)11-5-4-6-14-11/h7,9-11,14H,3-6,8H2,1-2H3
InChIKeyCABBYVPDJPESNY-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds5

About 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole

1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114707453) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
PubChem CID114707453
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
SMILESCCOC(C)Cn1cncc1C1CCCN1
InChIInChI=1S/C12H21N3O/c1-3-16-10(2)8-15-9-13-7-12(15)11-5-4-6-14-11/h7,9-11,14H,3-6,8H2,1-2H3
InChIKeyCABBYVPDJPESNY-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(2-methylbutyl)imidazol-4-yl]piperidine
CID 114705654
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051
1-(2-methyl-3-methylsulfanylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943113
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
1-(2-phenylpropyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943849
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole (CID 114707453) is 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole is CCOC(C)Cn1cncc1C1CCCN1.
What is the InChIKey of 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is CABBYVPDJPESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-16-10(2)8-15-9-13-7-12(15)11-5-4-6-14-11/h7,9-11,14H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole?
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 223.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114707453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).