methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate

C16H19N3O2 — CID 114719723

IUPACmethyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate
SMILESCOC(=O)C(c1ccccc1)n1cncc1C1CCNC1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)15(12-5-3-2-4-6-12)19-11-18-10-14(19)13-7-8-17-9-13/h2-6,10-11,13,15,17H,7-9H2,1H3
InChIKeyFPHXSTHFTOGWIR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate

methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate (PubChem CID 114719723) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate
PubChem CID114719723
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Namemethyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate
SMILESCOC(=O)C(c1ccccc1)n1cncc1C1CCNC1
InChIInChI=1S/C16H19N3O2/c1-21-16(20)15(12-5-3-2-4-6-12)19-11-18-10-14(19)13-7-8-17-9-13/h2-6,10-11,13,15,17H,7-9H2,1H3
InChIKeyFPHXSTHFTOGWIR-UHFFFAOYSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
1-(1-methoxypropan-2-yl)-5-pyrrolidin-3-ylimidazole
CID 114716573
methyl 2-phenyl-2-(4-piperidin-4-ylpiperidin-1-yl)acetate
CID 146045375
1-but-3-en-2-yl-5-pyrrolidin-3-ylimidazole
CID 114722129
1-(2-phenylethyl)-5-pyrrolidin-3-ylimidazole
CID 114716968
1-[2-(2-methoxyphenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 106261724
methyl 2-[methyl(pyrrolidin-3-yl)amino]-2-phenylacetate
CID 175212837
1-(4-propan-2-ylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114716402
(2R)-2-methoxy-2-phenyl-N-(4-pyrrolidin-3-ylphenyl)acetamide
CID 67240693
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
CID 114707115
1-[1-(2,4-dichlorophenyl)ethyl]-5-pyrrolidin-3-ylimidazole
CID 114717627

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate?
The IUPAC name of methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate (CID 114719723) is methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate?
The canonical SMILES for methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate is COC(=O)C(c1ccccc1)n1cncc1C1CCNC1.
What is the InChIKey of methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate?
The InChIKey is FPHXSTHFTOGWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-16(20)15(12-5-3-2-4-6-12)19-11-18-10-14(19)13-7-8-17-9-13/h2-6,10-11,13,15,17H,7-9H2,1H3.
What are the key properties of methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate?
methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate has a molecular weight of 285.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(5-pyrrolidin-3-ylimidazol-1-yl)acetate is sourced from PubChem (CID 114719723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).