2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole

C17H23N3O2 — CID 51260690

IUPAC2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCOc1ccc(C2CCCN2Cc2nccn2C)c(OC)c1
InChIInChI=1S/C17H23N3O2/c1-19-10-8-18-17(19)12-20-9-4-5-15(20)14-7-6-13(21-2)11-16(14)22-3/h6-8,10-11,15H,4-5,9,12H2,1-3H3
InChIKeyUFMVWTWPLGNMJD-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.77
Rot. Bonds5

About 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole

2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole (PubChem CID 51260690) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
PubChem CID51260690
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCOc1ccc(C2CCCN2Cc2nccn2C)c(OC)c1
InChIInChI=1S/C17H23N3O2/c1-19-10-8-18-17(19)12-20-9-4-5-15(20)14-7-6-13(21-2)11-16(14)22-3/h6-8,10-11,15H,4-5,9,12H2,1-3H3
InChIKeyUFMVWTWPLGNMJD-UHFFFAOYSA-N
XLogP2.77
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 94343768
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline
CID 30385062
5-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897748
2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 124721396
2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 94333445
3-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56818743
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
1-methyl-2-[[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
CID 95730740

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The IUPAC name of 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole (CID 51260690) is 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The canonical SMILES for 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole is COc1ccc(C2CCCN2Cc2nccn2C)c(OC)c1.
What is the InChIKey of 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The InChIKey is UFMVWTWPLGNMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-19-10-8-18-17(19)12-20-9-4-5-15(20)14-7-6-13(21-2)11-16(14)22-3/h6-8,10-11,15H,4-5,9,12H2,1-3H3.
What are the key properties of 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole has a molecular weight of 301.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 51260690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).