2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole

C16H21N3O2 — CID 50953533

IUPAC2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole
SMILESCOc1ccc(OC)c(C2CCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C16H21N3O2/c1-20-13-3-4-15(21-2)14(9-13)12-5-8-19(10-12)11-16-17-6-7-18-16/h3-4,6-7,9,12H,5,8,10-11H2,1-2H3,(H,17,18)
InChIKeyJJPROTKCEIQOLP-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.42
Rot. Bonds5

About 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole

2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole (PubChem CID 50953533) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole
PubChem CID50953533
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole
SMILESCOc1ccc(OC)c(C2CCN(Cc3ncc[nH]3)C2)c1
InChIInChI=1S/C16H21N3O2/c1-20-13-3-4-15(21-2)14(9-13)12-5-8-19(10-12)11-16-17-6-7-18-16/h3-4,6-7,9,12H,5,8,10-11H2,1-2H3,(H,17,18)
InChIKeyJJPROTKCEIQOLP-UHFFFAOYSA-N
XLogP2.42
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4-methylphenol
CID 95129075
(3S)-3-(2,5-dimethoxyphenyl)-1-[(E)-2-methylbut-2-enyl]pyrrolidine
CID 95134904
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95714982
2-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]benzoic acid
CID 56893108
1-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45223114
1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]benzimidazole
CID 135098174
(3R)-3-(2,5-dimethoxyphenyl)-1-(oxan-4-yl)pyrrolidine
CID 95135764
4-chloro-1-[2-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]pyrazole
CID 135110123
2-[[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazole
CID 95122209
2-[[4-(2,5-dimethoxyphenyl)piperidin-1-yl]methyl]-3-methylimidazo[4,5-b]pyridine
CID 25010195
3-(1,3-benzodioxol-5-yl)-5-[[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 28734557

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
The IUPAC name of 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole (CID 50953533) is 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole is COc1ccc(OC)c(C2CCN(Cc3ncc[nH]3)C2)c1.
What is the InChIKey of 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
The InChIKey is JJPROTKCEIQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-13-3-4-15(21-2)14(9-13)12-5-8-19(10-12)11-16-17-6-7-18-16/h3-4,6-7,9,12H,5,8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole?
2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole has a molecular weight of 287.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1H-imidazole is sourced from PubChem (CID 50953533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).