5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole

C12H21N3 — CID 66131789

IUPAC5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
SMILESCCCn1cncc1C1NCCC1CC
InChIInChI=1S/C12H21N3/c1-3-7-15-9-13-8-11(15)12-10(4-2)5-6-14-12/h8-10,12,14H,3-7H2,1-2H3
InChIKeyOLNIMKLSJUTXNP-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds4

About 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole

5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole (PubChem CID 66131789) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
PubChem CID66131789
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole
SMILESCCCn1cncc1C1NCCC1CC
InChIInChI=1S/C12H21N3/c1-3-7-15-9-13-8-11(15)12-10(4-2)5-6-14-12/h8-10,12,14H,3-7H2,1-2H3
InChIKeyOLNIMKLSJUTXNP-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole?
The IUPAC name of 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole (CID 66131789) is 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole.
What is the SMILES notation for 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole?
The canonical SMILES for 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole is CCCn1cncc1C1NCCC1CC.
What is the InChIKey of 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole?
The InChIKey is OLNIMKLSJUTXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-7-15-9-13-8-11(15)12-10(4-2)5-6-14-12/h8-10,12,14H,3-7H2,1-2H3.
What are the key properties of 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole?
5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole has a molecular weight of 207.32 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-2-yl)-1-propylimidazole is sourced from PubChem (CID 66131789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).