1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole

C12H21N3O — CID 114796227

IUPAC1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
SMILESc1cn(CCCOCCC2CCNC2)cn1
InChIInChI=1S/C12H21N3O/c1(6-15-7-5-14-11-15)8-16-9-3-12-2-4-13-10-12/h5,7,11-13H,1-4,6,8-10H2
InChIKeyOUFGGWUPYNDOGF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.29
Rot. Bonds7

About 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole

1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole (PubChem CID 114796227) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
PubChem CID114796227
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
SMILESc1cn(CCCOCCC2CCNC2)cn1
InChIInChI=1S/C12H21N3O/c1(6-15-7-5-14-11-15)8-16-9-3-12-2-4-13-10-12/h5,7,11-13H,1-4,6,8-10H2
InChIKeyOUFGGWUPYNDOGF-UHFFFAOYSA-N
XLogP1.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.29
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-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
CID 114796078
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
3-(2-imidazol-1-ylethoxy)piperidine
CID 106937689
3-(2-propoxyethyl)pyrrolidine
CID 114796170
3-(2-heptoxyethyl)pyrrolidine
CID 114795978
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
2-imidazol-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 80555335
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
3-imidazol-1-yl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106637470
1-[14-(3,3-dimethylbutoxy)tetradecyl]imidazole
CID 126578367

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole?
The IUPAC name of 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole (CID 114796227) is 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole is c1cn(CCCOCCC2CCNC2)cn1.
What is the InChIKey of 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole?
The InChIKey is OUFGGWUPYNDOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1(6-15-7-5-14-11-15)8-16-9-3-12-2-4-13-10-12/h5,7,11-13H,1-4,6,8-10H2.
What are the key properties of 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole?
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole has a molecular weight of 223.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole is sourced from PubChem (CID 114796227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).