1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole

C11H19N3O — CID 168941227

IUPAC1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
SMILESCOCCn1ccnc1[C@@H]1CCCN1C
InChIInChI=1S/C11H19N3O/c1-13-6-3-4-10(13)11-12-5-7-14(11)8-9-15-2/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyJWXBVSYNQCBWKL-JTQLQIEISA-N
MW209.29 g/mol
LogP1.30
Rot. Bonds4

About 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole

1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole (PubChem CID 168941227) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
PubChem CID168941227
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
SMILESCOCCn1ccnc1[C@@H]1CCCN1C
InChIInChI=1S/C11H19N3O/c1-13-6-3-4-10(13)11-12-5-7-14(11)8-9-15-2/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyJWXBVSYNQCBWKL-JTQLQIEISA-N
XLogP1.30
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyethyl)-3-(1-methylpyrrolidin-2-yl)-1,2,4-triazole
CID 110255440
2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole
CID 125451880
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
CID 125454365
1-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 97131606
4-[[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]benzoic acid
CID 97122082
2-[[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 97131224
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97148152
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
[(3S)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 97278548
1-[1-[1-(2-methoxyethyl)imidazol-2-yl]pyrrolidin-2-yl]-N-methylmethanamine
CID 106553526

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole (CID 168941227) is 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole is COCCn1ccnc1[C@@H]1CCCN1C.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole?
The InChIKey is JWXBVSYNQCBWKL-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19N3O/c1-13-6-3-4-10(13)11-12-5-7-14(11)8-9-15-2/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole?
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole has a molecular weight of 209.29 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole is sourced from PubChem (CID 168941227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).