1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole

C23H26FN3O — CID 93242506

IUPAC1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
SMILESCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C
InChIInChI=1S/C23H26FN3O/c1-17-25-10-12-26(17)16-20-13-18(8-9-23(20)28-2)15-27-11-4-7-22(27)19-5-3-6-21(24)14-19/h3,5-6,8-10,12-14,22H,4,7,11,15-16H2,1-2H3/t22-/m0/s1
InChIKeyQKKVOJSJXZIHFN-QFIPXVFZSA-N
MW379.48 g/mol
LogP4.72
Rot. Bonds6

About 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole

1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole (PubChem CID 93242506) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
PubChem CID93242506
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole
SMILESCOc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C
InChIInChI=1S/C23H26FN3O/c1-17-25-10-12-26(17)16-20-13-18(8-9-23(20)28-2)15-27-11-4-7-22(27)19-5-3-6-21(24)14-19/h3,5-6,8-10,12-14,22H,4,7,11,15-16H2,1-2H3/t22-/m0/s1
InChIKeyQKKVOJSJXZIHFN-QFIPXVFZSA-N
XLogP4.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole with MolForge

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895888
1-[[(2R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylimidazole
CID 124614821
1-cyclopentyl-4-[[4-methoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperazin-2-one
CID 46981248
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
(2S)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878125
(2R)-1-[(2,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)azepane
CID 92878124
2-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 134001112
2-methoxy-5-[(2-pyridin-4-ylpyrrolidin-1-yl)methyl]aniline
CID 43575611
4-methoxy-3-[(2-methylimidazol-1-yl)methyl]aniline
CID 43134621
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-fluorophenyl)piperazine;hydrochloride
CID 120768465

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole?
The IUPAC name of 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole (CID 93242506) is 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole.
What is the SMILES notation for 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole?
The canonical SMILES for 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole is COc1ccc(CN2CCC[C@H]2c2cccc(F)c2)cc1Cn1ccnc1C.
What is the InChIKey of 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole?
The InChIKey is QKKVOJSJXZIHFN-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-17-25-10-12-26(17)16-20-13-18(8-9-23(20)28-2)15-27-11-4-7-22(27)19-5-3-6-21(24)14-19/h3,5-6,8-10,12-14,22H,4,7,11,15-16H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole?
1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole has a molecular weight of 379.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxyphenyl]methyl]-2-methylimidazole is sourced from PubChem (CID 93242506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).