1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole

C12H21N3O — CID 114796078

IUPAC1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
SMILESCn1ccnc1CCOCCC1CCNC1
InChIInChI=1S/C12H21N3O/c1-15-7-6-14-12(15)4-9-16-8-3-11-2-5-13-10-11/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyWFFCINKIJUWDCS-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.98
Rot. Bonds6

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

1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole (PubChem CID 114796078) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
PubChem CID114796078
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
SMILESCn1ccnc1CCOCCC1CCNC1
InChIInChI=1S/C12H21N3O/c1-15-7-6-14-12(15)4-9-16-8-3-11-2-5-13-10-11/h6-7,11,13H,2-5,8-10H2,1H3
InChIKeyWFFCINKIJUWDCS-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.98
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

(1R,6S)-9-[(1-methylimidazol-2-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 133117917
2-[2-(1-methylimidazol-2-yl)ethoxy]ethanol
CID 90045312
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
CID 114796227
3-(2-propoxyethyl)pyrrolidine
CID 114796170
N-ethyl-2-(1-methylimidazol-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638427
(3R)-3-[2-(2-methoxyethoxy)ethyl]pyrrolidine
CID 86324088
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
CID 114796570
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
[2-[2-(1-methylimidazol-2-yl)ethoxymethyl]cyclopentyl]methanamine
CID 114528585
1-(1-methylimidazol-2-yl)-4-piperidin-4-ylbutan-2-one
CID 116563440
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
CID 106938088

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole?
The IUPAC name of 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole (CID 114796078) is 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole.
What is the SMILES notation for 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole?
The canonical SMILES for 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole is Cn1ccnc1CCOCCC1CCNC1.
What is the InChIKey of 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole?
The InChIKey is WFFCINKIJUWDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-6-14-12(15)4-9-16-8-3-11-2-5-13-10-11/h6-7,11,13H,2-5,8-10H2,1H3.
What are the key properties of 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole?
1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole has a molecular weight of 223.32 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole is sourced from PubChem (CID 114796078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).