1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole

C18H25N3O2 — CID 124614821

IUPAC1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
SMILESCOc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1OC
InChIInChI=1S/C18H25N3O2/c1-14-19-8-10-20(14)13-16-5-4-9-21(16)12-15-6-7-17(22-2)18(11-15)23-3/h6-8,10-11,16H,4-5,9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyCTUATPPFEJZQPP-MRXNPFEDSA-N
MW315.42 g/mol
LogP2.87
Rot. Bonds6

About 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole

1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole (PubChem CID 124614821) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
PubChem CID124614821
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
SMILESCOc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1OC
InChIInChI=1S/C18H25N3O2/c1-14-19-8-10-20(14)13-16-5-4-9-21(16)12-15-6-7-17(22-2)18(11-15)23-3/h6-8,10-11,16H,4-5,9,12-13H2,1-3H3/t16-/m1/s1
InChIKeyCTUATPPFEJZQPP-MRXNPFEDSA-N
XLogP2.87
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 40542884
4-[[(2S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]morpholine
CID 97158896
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
CID 93242506
1-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylpyrrolidine
CID 62273875
[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-2-yl]methanamine
CID 115312882
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine
CID 54971394
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
(2S)-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)piperidine
CID 99951624
3-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole
CID 92732537
ethyl 1-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 62027038

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole (CID 124614821) is 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole is COc1ccc(CN2CCC[C@@H]2Cn2ccnc2C)cc1OC.
What is the InChIKey of 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
The InChIKey is CTUATPPFEJZQPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-19-8-10-20(14)13-16-5-4-9-21(16)12-15-6-7-17(22-2)18(11-15)23-3/h6-8,10-11,16H,4-5,9,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole?
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole has a molecular weight of 315.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole is sourced from PubChem (CID 124614821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).