1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole

C13H21N3 — CID 114722227

IUPAC1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
SMILESc1ncn(CCC2CCC2)c1C1CCNC1
InChIInChI=1S/C13H21N3/c1-2-11(3-1)5-7-16-10-15-9-13(16)12-4-6-14-8-12/h9-12,14H,1-8H2
InChIKeyIHUJBKXBJOAHCU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.15
Rot. Bonds4

About 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole

1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole (PubChem CID 114722227) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
PubChem CID114722227
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
SMILESc1ncn(CCC2CCC2)c1C1CCNC1
InChIInChI=1S/C13H21N3/c1-2-11(3-1)5-7-16-10-15-9-13(16)12-4-6-14-8-12/h9-12,14H,1-8H2
InChIKeyIHUJBKXBJOAHCU-UHFFFAOYSA-N
XLogP2.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
1-methyl-2-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]imidazole
CID 114720604
N,N-dimethyl-2-(5-piperidin-3-ylimidazol-1-yl)ethanamine
CID 114703731
1-[2-(5-piperidin-3-ylimidazol-1-yl)ethyl]piperidine
CID 114704706
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-(3-methylbut-2-enyl)-5-pyrrolidin-3-ylimidazole
CID 106194342

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole (CID 114722227) is 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole is c1ncn(CCC2CCC2)c1C1CCNC1.
What is the InChIKey of 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole?
The InChIKey is IHUJBKXBJOAHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-11(3-1)5-7-16-10-15-9-13(16)12-4-6-14-8-12/h9-12,14H,1-8H2.
What are the key properties of 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole?
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole has a molecular weight of 219.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114722227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).