2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol

C18H25N3O2 — CID 125002714

IUPAC2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1cn(C)c([C@@H]2CCCN2Cc2cccc(OCCO)c2)n1
InChIInChI=1S/C18H25N3O2/c1-14-12-20(2)18(19-14)17-7-4-8-21(17)13-15-5-3-6-16(11-15)23-10-9-22/h3,5-6,11-12,17,22H,4,7-10,13H2,1-2H3/t17-/m0/s1
InChIKeySMJGBJBSNWLMDS-KRWDZBQOSA-N
MW315.42 g/mol
LogP2.44
Rot. Bonds6

About 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol

2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 125002714) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
PubChem CID125002714
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1cn(C)c([C@@H]2CCCN2Cc2cccc(OCCO)c2)n1
InChIInChI=1S/C18H25N3O2/c1-14-12-20(2)18(19-14)17-7-4-8-21(17)13-15-5-3-6-16(11-15)23-10-9-22/h3,5-6,11-12,17,22H,4,7-10,13H2,1-2H3/t17-/m0/s1
InChIKeySMJGBJBSNWLMDS-KRWDZBQOSA-N
XLogP2.44
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 124965532
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329
2-[4-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 110104492
2-[3-[[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol
CID 95719382
2-[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-1,4-dimethylimidazole
CID 124958367
2-[3-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95895040
2-[2-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 125000713
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
2-(1H-imidazol-2-yl)-1-[(3-propoxyphenyl)methyl]piperidine
CID 126777611
2-[3-[(2-phenylpiperazin-1-yl)methyl]phenoxy]ethanol
CID 110109139
2-[3-[[(2R)-2-phenylpiperazin-1-yl]methyl]phenoxy]ethanol
CID 125007699
2-[3-[[4-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 56893383

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol (CID 125002714) is 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol is Cc1cn(C)c([C@@H]2CCCN2Cc2cccc(OCCO)c2)n1.
What is the InChIKey of 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is SMJGBJBSNWLMDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14-12-20(2)18(19-14)17-7-4-8-21(17)13-15-5-3-6-16(11-15)23-10-9-22/h3,5-6,11-12,17,22H,4,7-10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol?
2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 315.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2S)-2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 125002714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).