2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole

C19H27N3O3 — CID 154765204

IUPAC2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
SMILESCCOCc1cc(CN2C[C@H](OC)CC2c2ncc[nH]2)ccc1OC
InChIInChI=1S/C19H27N3O3/c1-4-25-13-15-9-14(5-6-18(15)24-3)11-22-12-16(23-2)10-17(22)19-20-7-8-21-19/h5-9,16-17H,4,10-13H2,1-3H3,(H,20,21)/t16-,17?/m1/s1
InChIKeyVOATYEXZIUECEY-TZHYSIJRSA-N
MW345.44 g/mol
LogP2.92
Rot. Bonds8

About 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole

2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole (PubChem CID 154765204) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
PubChem CID154765204
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole
SMILESCCOCc1cc(CN2C[C@H](OC)CC2c2ncc[nH]2)ccc1OC
InChIInChI=1S/C19H27N3O3/c1-4-25-13-15-9-14(5-6-18(15)24-3)11-22-12-16(23-2)10-17(22)19-20-7-8-21-19/h5-9,16-17H,4,10-13H2,1-3H3,(H,20,21)/t16-,17?/m1/s1
InChIKeyVOATYEXZIUECEY-TZHYSIJRSA-N
XLogP2.92
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-8-methylquinoline
CID 167921637
3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192
5-chloro-2-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]benzonitrile
CID 154765197
5-[[2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1-methyl-3-phenylpyrazole
CID 154870278
3-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-9-pyridin-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216448
3-[[4-[[(2S,4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
CID 167827199
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120767587
(1S,5S)-3-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74243892
5-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-1-methylbenzimidazole
CID 128979892
1-[1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120968478
(3-ethoxy-1,2-oxazol-5-yl)-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765171
1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-N-(4-fluorophenyl)piperidin-3-amine
CID 45242776

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole?
The IUPAC name of 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole (CID 154765204) is 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole.
What is the SMILES notation for 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole?
The canonical SMILES for 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole is CCOCc1cc(CN2C[C@H](OC)CC2c2ncc[nH]2)ccc1OC.
What is the InChIKey of 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole?
The InChIKey is VOATYEXZIUECEY-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-4-25-13-15-9-14(5-6-18(15)24-3)11-22-12-16(23-2)10-17(22)19-20-7-8-21-19/h5-9,16-17H,4,10-13H2,1-3H3,(H,20,21)/t16-,17?/m1/s1.
What are the key properties of 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole?
2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole has a molecular weight of 345.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-4-methoxypyrrolidin-2-yl]-1H-imidazole is sourced from PubChem (CID 154765204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).