5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole

C17H22ClN3O — CID 124753499

IUPAC5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
SMILESCOCCn1cncc1CN1CC[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN3O/c1-22-9-8-21-13-19-10-15(21)12-20-7-6-14(11-20)16-4-2-3-5-17(16)18/h2-5,10,13-14H,6-9,11-12H2,1H3/t14-/m0/s1
InChIKeyMDQHAUADDSRFCE-AWEZNQCLSA-N
MW319.84 g/mol
LogP3.17
Rot. Bonds6

About 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole

5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole (PubChem CID 124753499) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole.

Molecular Properties

Compound Name5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
PubChem CID124753499
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
SMILESCOCCn1cncc1CN1CC[C@H](c2ccccc2Cl)C1
InChIInChI=1S/C17H22ClN3O/c1-22-9-8-21-13-19-10-15(21)12-20-7-6-14(11-20)16-4-2-3-5-17(16)18/h2-5,10,13-14H,6-9,11-12H2,1H3/t14-/m0/s1
InChIKeyMDQHAUADDSRFCE-AWEZNQCLSA-N
XLogP3.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 91840373
(2S)-2-(4-chlorophenyl)-4-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]morpholine
CID 95550441
5-[[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 166615769
3-[(4-fluorophenyl)methyl]-1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidine
CID 91829440
(3aR,6aS)-2-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139599274
2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 91838335
6-fluoro-2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 91834299
1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methylphenyl)-1,4-diazepane
CID 135095673
3-(2-chlorophenyl)-1-methylazetidine
CID 167307075
1-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]azetidin-3-yl]-3,5-dimethylpyrazole
CID 91832467
(1R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 124728151
2-[2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]ethyl]pyridine
CID 91832850

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
The IUPAC name of 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole (CID 124753499) is 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole.
What is the SMILES notation for 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
The canonical SMILES for 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole is COCCn1cncc1CN1CC[C@H](c2ccccc2Cl)C1.
What is the InChIKey of 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
The InChIKey is MDQHAUADDSRFCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-22-9-8-21-13-19-10-15(21)12-20-7-6-14(11-20)16-4-2-3-5-17(16)18/h2-5,10,13-14H,6-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole?
5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole has a molecular weight of 319.84 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole is sourced from PubChem (CID 124753499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).