1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole

C13H23N3O — CID 114722620

IUPAC1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
SMILESCC(C)COCCn1cncc1C1CCNC1
InChIInChI=1S/C13H23N3O/c1-11(2)9-17-6-5-16-10-15-8-13(16)12-3-4-14-7-12/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyLPAPJQWTSUDZSI-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.63
Rot. Bonds6

About 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole

1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole (PubChem CID 114722620) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
PubChem CID114722620
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
SMILESCC(C)COCCn1cncc1C1CCNC1
InChIInChI=1S/C13H23N3O/c1-11(2)9-17-6-5-16-10-15-8-13(16)12-3-4-14-7-12/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyLPAPJQWTSUDZSI-UHFFFAOYSA-N
XLogP1.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
3-[3-(4-propan-2-yloxybutyl)imidazol-4-yl]piperidine
CID 106009447
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114720180
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole (CID 114722620) is 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole is CC(C)COCCn1cncc1C1CCNC1.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole?
The InChIKey is LPAPJQWTSUDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)9-17-6-5-16-10-15-8-13(16)12-3-4-14-7-12/h8,10-12,14H,3-7,9H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole?
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole has a molecular weight of 237.35 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114722620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).