1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole

C17H23N3O2 — CID 99926038

IUPAC1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
SMILESCO[C@H]1CCN(Cc2ccc(OCCn3ccnc3)cc2)C1
InChIInChI=1S/C17H23N3O2/c1-21-17-6-8-20(13-17)12-15-2-4-16(5-3-15)22-11-10-19-9-7-18-14-19/h2-5,7,9,14,17H,6,8,10-13H2,1H3/t17-/m0/s1
InChIKeyQDOSVOFIQHBDTD-KRWDZBQOSA-N
MW301.39 g/mol
LogP2.18
Rot. Bonds7

About 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole

1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole (PubChem CID 99926038) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
PubChem CID99926038
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole
SMILESCO[C@H]1CCN(Cc2ccc(OCCn3ccnc3)cc2)C1
InChIInChI=1S/C17H23N3O2/c1-21-17-6-8-20(13-17)12-15-2-4-16(5-3-15)22-11-10-19-9-7-18-14-19/h2-5,7,9,14,17H,6,8,10-13H2,1H3/t17-/m0/s1
InChIKeyQDOSVOFIQHBDTD-KRWDZBQOSA-N
XLogP2.18
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]piperidin-3-yl]pyrimidine
CID 77079143
1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 77086562
1-[3-[4-(azetidin-1-ylmethyl)phenoxy]propyl]imidazole
CID 77085814
(1S,5S)-3-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74237391
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
(2S)-1-[1-[[4-(3-imidazol-1-ylpropoxy)phenyl]methyl]azetidin-3-yl]-2-methylpiperidine
CID 95714151
ethane;1-[2-(4-ethylphenoxy)ethyl]imidazole;propane
CID 164877712
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
N-[(3S,4R)-1-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-4-propan-2-ylpyrrolidin-3-yl]acetamide
CID 70734246
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole?
The IUPAC name of 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole (CID 99926038) is 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole is CO[C@H]1CCN(Cc2ccc(OCCn3ccnc3)cc2)C1.
What is the InChIKey of 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole?
The InChIKey is QDOSVOFIQHBDTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-21-17-6-8-20(13-17)12-15-2-4-16(5-3-15)22-11-10-19-9-7-18-14-19/h2-5,7,9,14,17H,6,8,10-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole?
1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole has a molecular weight of 301.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]phenoxy]ethyl]imidazole is sourced from PubChem (CID 99926038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).