2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid

C18H23N3O3 — CID 110104492

IUPAC2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCc1cn(C)c(C2CCCN2Cc2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C18H23N3O3/c1-13-10-20(2)18(19-13)16-4-3-9-21(16)11-14-5-7-15(8-6-14)24-12-17(22)23/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,22,23)
InChIKeyODEOVDINLZKDEH-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.53
Rot. Bonds6

About 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid

2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 110104492) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID110104492
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
SMILESCc1cn(C)c(C2CCCN2Cc2ccc(OCC(=O)O)cc2)n1
InChIInChI=1S/C18H23N3O3/c1-13-10-20(2)18(19-13)16-4-3-9-21(16)11-14-5-7-15(8-6-14)24-12-17(22)23/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,22,23)
InChIKeyODEOVDINLZKDEH-UHFFFAOYSA-N
XLogP2.53
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125000713
3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 124965532
2-[4-[[(2R)-2-[6-(ethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 124954262
2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 125002714
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-1,4-dimethylimidazole
CID 124958367
2-[4-[[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)azepan-1-yl]methyl]phenoxy]acetic acid
CID 110219909
2-[4-[(4-methylpiperidin-1-yl)methyl]phenoxy]acetic acid
CID 23378235
4-[(2S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732569
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid (CID 110104492) is 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid is Cc1cn(C)c(C2CCCN2Cc2ccc(OCC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is ODEOVDINLZKDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-10-20(2)18(19-13)16-4-3-9-21(16)11-14-5-7-15(8-6-14)24-12-17(22)23/h5-8,10,16H,3-4,9,11-12H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid?
2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 329.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 110104492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).