1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole

C13H23N3O — CID 114706396

IUPAC1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
SMILESCOCC(C(C)C)n1cncc1C1CCCN1
InChIInChI=1S/C13H23N3O/c1-10(2)13(8-17-3)16-9-14-7-12(16)11-5-4-6-15-11/h7,9-11,13,15H,4-6,8H2,1-3H3
InChIKeyLOFOZPYXJSEYGG-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.15
Rot. Bonds5

About 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole

1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole (PubChem CID 114706396) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole.

Molecular Properties

Compound Name1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
PubChem CID114706396
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
SMILESCOCC(C(C)C)n1cncc1C1CCCN1
InChIInChI=1S/C13H23N3O/c1-10(2)13(8-17-3)16-9-14-7-12(16)11-5-4-6-15-11/h7,9-11,13,15H,4-6,8H2,1-3H3
InChIKeyLOFOZPYXJSEYGG-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
methyl 3-methyl-2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]butanoate
CID 104942728
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
1-(2-ethoxypropyl)-5-pyrrolidin-2-ylimidazole
CID 114707453
N,N,4-trimethyl-2-(5-pyrrolidin-2-ylimidazol-1-yl)pentan-1-amine
CID 114704667
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(2-methyl-3-methylsulfanylpropyl)-5-pyrrolidin-2-ylimidazole
CID 114706051

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole?
The IUPAC name of 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole (CID 114706396) is 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole.
What is the SMILES notation for 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole?
The canonical SMILES for 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole is COCC(C(C)C)n1cncc1C1CCCN1.
What is the InChIKey of 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole?
The InChIKey is LOFOZPYXJSEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)13(8-17-3)16-9-14-7-12(16)11-5-4-6-15-11/h7,9-11,13,15H,4-6,8H2,1-3H3.
What are the key properties of 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole?
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole has a molecular weight of 237.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole is sourced from PubChem (CID 114706396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).