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

C17H22ClN3O2 — CID 94343768

IUPAC5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCOc1ccc([C@H]2CCCN2Cc2ncc(Cl)n2C)c(OC)c1
InChIInChI=1S/C17H22ClN3O2/c1-20-16(18)10-19-17(20)11-21-8-4-5-14(21)13-7-6-12(22-2)9-15(13)23-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyOZMOTZDNQDWGFC-CQSZACIVSA-N
MW335.84 g/mol
LogP3.43
Rot. Bonds5

About 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole

5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole (PubChem CID 94343768) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole.

Molecular Properties

Compound Name5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
PubChem CID94343768
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
SMILESCOc1ccc([C@H]2CCCN2Cc2ncc(Cl)n2C)c(OC)c1
InChIInChI=1S/C17H22ClN3O2/c1-20-16(18)10-19-17(20)11-21-8-4-5-14(21)13-7-6-12(22-2)9-15(13)23-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyOZMOTZDNQDWGFC-CQSZACIVSA-N
XLogP3.43
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-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

2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
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-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
8-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]quinoline
CID 30385062
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398
2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 94333445
3-(4-chlorophenyl)-5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 8856305
3-tert-butyl-5-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
CID 51934667
3-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 56818743
4-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-2-thiophen-2-yl-1,3-thiazole
CID 18087139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The IUPAC name of 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole (CID 94343768) is 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole.
What is the SMILES notation for 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The canonical SMILES for 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole is COc1ccc([C@H]2CCCN2Cc2ncc(Cl)n2C)c(OC)c1.
What is the InChIKey of 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
The InChIKey is OZMOTZDNQDWGFC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-20-16(18)10-19-17(20)11-21-8-4-5-14(21)13-7-6-12(22-2)9-15(13)23-3/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole?
5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole has a molecular weight of 335.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole is sourced from PubChem (CID 94343768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).