1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole

C16H21N3O — CID 106261724

IUPAC1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
SMILESCOc1ccccc1CCn1cncc1C1CCNC1
InChIInChI=1S/C16H21N3O/c1-20-16-5-3-2-4-13(16)7-9-19-12-18-11-15(19)14-6-8-17-10-14/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyFMBRZVBIQSNALO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.21
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole

1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole (PubChem CID 106261724) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
PubChem CID106261724
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
SMILESCOc1ccccc1CCn1cncc1C1CCNC1
InChIInChI=1S/C16H21N3O/c1-20-16-5-3-2-4-13(16)7-9-19-12-18-11-15(19)14-6-8-17-10-14/h2-5,11-12,14,17H,6-10H2,1H3
InChIKeyFMBRZVBIQSNALO-UHFFFAOYSA-N
XLogP2.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 106261736
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-butyl-5-pyrrolidin-3-ylimidazole
CID 114716363
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
1-pentyl-5-pyrrolidin-3-ylimidazole
CID 114716240
1-methyl-2-[2-(5-pyrrolidin-3-ylimidazol-1-yl)ethyl]imidazole
CID 114719151
1-[(2,5-difluorophenyl)methyl]-5-pyrrolidin-3-ylimidazole
CID 114720616
1-(3-methylsulfonylpropyl)-5-pyrrolidin-3-ylimidazole
CID 114718583
1-(2-cyclobutylethyl)-5-pyrrolidin-3-ylimidazole
CID 114722227
3-[3-[2-(4-fluorophenyl)ethyl]imidazol-4-yl]piperidine
CID 114703121
N,N-dimethyl-3-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114718789
1-[2-(2-methylpropoxy)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114722620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole (CID 106261724) is 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole is COc1ccccc1CCn1cncc1C1CCNC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
The InChIKey is FMBRZVBIQSNALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-20-16-5-3-2-4-13(16)7-9-19-12-18-11-15(19)14-6-8-17-10-14/h2-5,11-12,14,17H,6-10H2,1H3.
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole?
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole has a molecular weight of 271.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole is sourced from PubChem (CID 106261724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).