2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole

C12H21N3O — CID 110269241

IUPAC2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
SMILESCOCCN1CCC(Cc2nccn2C)C1
InChIInChI=1S/C12H21N3O/c1-14-6-4-13-12(14)9-11-3-5-15(10-11)7-8-16-2/h4,6,11H,3,5,7-10H2,1-2H3
InChIKeyZNOYEBSEIVVANG-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.93
Rot. Bonds5

About 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole

2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole (PubChem CID 110269241) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
PubChem CID110269241
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
SMILESCOCCN1CCC(Cc2nccn2C)C1
InChIInChI=1S/C12H21N3O/c1-14-6-4-13-12(14)9-11-3-5-15(10-11)7-8-16-2/h4,6,11H,3,5,7-10H2,1-2H3
InChIKeyZNOYEBSEIVVANG-UHFFFAOYSA-N
XLogP0.93
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[(3S)-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 95843170
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CID 86771066
2-methoxy-1-[3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 110269320
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
CID 124625021
1-methyl-2-[[(3R)-1-(oxan-4-yl)pyrrolidin-3-yl]methyl]imidazole
CID 95841791
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-5-methylpyridine
CID 110269242
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 126448828
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 97101306
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole?
The IUPAC name of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole (CID 110269241) is 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole?
The canonical SMILES for 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole is COCCN1CCC(Cc2nccn2C)C1.
What is the InChIKey of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole?
The InChIKey is ZNOYEBSEIVVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-14-6-4-13-12(14)9-11-3-5-15(10-11)7-8-16-2/h4,6,11H,3,5,7-10H2,1-2H3.
What are the key properties of 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole?
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole has a molecular weight of 223.32 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 110269241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).