1-butyl-5-pyrrolidin-3-ylimidazole

C11H19N3 — CID 114716363

IUPAC1-butyl-5-pyrrolidin-3-ylimidazole
SMILESCCCCn1cncc1C1CCNC1
InChIInChI=1S/C11H19N3/c1-2-3-6-14-9-13-8-11(14)10-4-5-12-7-10/h8-10,12H,2-7H2,1H3
InChIKeyFVEUOBUOFUPYEV-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.76
Rot. Bonds4

About 1-butyl-5-pyrrolidin-3-ylimidazole

1-butyl-5-pyrrolidin-3-ylimidazole (PubChem CID 114716363) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-butyl-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-butyl-5-pyrrolidin-3-ylimidazole
PubChem CID114716363
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-butyl-5-pyrrolidin-3-ylimidazole
SMILESCCCCn1cncc1C1CCNC1
InChIInChI=1S/C11H19N3/c1-2-3-6-14-9-13-8-11(14)10-4-5-12-7-10/h8-10,12H,2-7H2,1H3
InChIKeyFVEUOBUOFUPYEV-UHFFFAOYSA-N
XLogP1.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
5-(azetidin-3-yl)-1-pentylimidazole
CID 114716245
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620
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-ethyl-2-methylsulfanylbutyl)-5-pyrrolidin-3-ylimidazole
CID 114117594
1-ethyl-4-[(5-pyrrolidin-3-ylimidazol-1-yl)methyl]piperidine
CID 114719115

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-butyl-5-pyrrolidin-3-ylimidazole (CID 114716363) is 1-butyl-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-butyl-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-butyl-5-pyrrolidin-3-ylimidazole is CCCCn1cncc1C1CCNC1.
What is the InChIKey of 1-butyl-5-pyrrolidin-3-ylimidazole?
The InChIKey is FVEUOBUOFUPYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-3-6-14-9-13-8-11(14)10-4-5-12-7-10/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-butyl-5-pyrrolidin-3-ylimidazole?
1-butyl-5-pyrrolidin-3-ylimidazole has a molecular weight of 193.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 114716363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).