1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole

C11H19N3O — CID 114716573

IUPAC1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
SMILESCOCC(C)n1cncc1C1CCNC1
InChIInChI=1S/C11H19N3O/c1-9(7-15-2)14-8-13-6-11(14)10-3-4-12-5-10/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyRZIIESNOJSVIQA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.17
Rot. Bonds4

About 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole

1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114716573) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
PubChem CID114716573
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
SMILESCOCC(C)n1cncc1C1CCNC1
InChIInChI=1S/C11H19N3O/c1-9(7-15-2)14-8-13-6-11(14)10-3-4-12-5-10/h6,8-10,12H,3-5,7H2,1-2H3
InChIKeyRZIIESNOJSVIQA-UHFFFAOYSA-N
XLogP1.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.17
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
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
3-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114705204
3-(3-octan-2-ylimidazol-4-yl)piperidine
CID 114704680
4-[3-(3-methylpentan-2-yl)imidazol-4-yl]piperidine
CID 114704625
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate
CID 114719723
3,5-dimethyl-4-[1-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]-1,2-oxazole
CID 114721129
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114717627
N,N-dimethyl-1-(5-piperidin-3-ylimidazol-1-yl)propan-2-amine
CID 114704884

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole (CID 114716573) is 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole is COCC(C)n1cncc1C1CCNC1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is RZIIESNOJSVIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(7-15-2)14-8-13-6-11(14)10-3-4-12-5-10/h6,8-10,12H,3-5,7H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole?
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 209.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).