3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol

C21H23N3O2 — CID 75514974

IUPAC3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol
SMILESCc1ncc(CN2CCOC(c3cccc(O)c3)C2)n1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16-22-13-19(24(16)18-7-3-2-4-8-18)14-23-10-11-26-21(15-23)17-6-5-9-20(25)12-17/h2-9,12-13,21,25H,10-11,14-15H2,1H3
InChIKeyUSZPRUHBEHNQOW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.46
Rot. Bonds4

About 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol

3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol (PubChem CID 75514974) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol.

Molecular Properties

Compound Name3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol
PubChem CID75514974
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol
SMILESCc1ncc(CN2CCOC(c3cccc(O)c3)C2)n1-c1ccccc1
InChIInChI=1S/C21H23N3O2/c1-16-22-13-19(24(16)18-7-3-2-4-8-18)14-23-10-11-26-21(15-23)17-6-5-9-20(25)12-17/h2-9,12-13,21,25H,10-11,14-15H2,1H3
InChIKeyUSZPRUHBEHNQOW-UHFFFAOYSA-N
XLogP3.46
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 97147443
3-[(2R)-4-(5-fluoropyrimidin-2-yl)morpholin-2-yl]phenol
CID 97069431
N-[4-[[2-(3-hydroxyphenyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 154751593
3-[4-[(3-cyclohexyl-1-methylpyrazol-4-yl)methyl]morpholin-2-yl]phenol
CID 126788027
3-[(2R)-4-[[(2R)-oxolan-2-yl]methyl]morpholin-2-yl]phenol
CID 129433014
(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158539
2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
CID 126816677
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
CID 75438529
3-[4-(3-ethyl-2-methylquinolin-4-yl)morpholin-2-yl]phenol
CID 133438456

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol?
The IUPAC name of 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol (CID 75514974) is 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol.
What is the SMILES notation for 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol?
The canonical SMILES for 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol is Cc1ncc(CN2CCOC(c3cccc(O)c3)C2)n1-c1ccccc1.
What is the InChIKey of 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol?
The InChIKey is USZPRUHBEHNQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16-22-13-19(24(16)18-7-3-2-4-8-18)14-23-10-11-26-21(15-23)17-6-5-9-20(25)12-17/h2-9,12-13,21,25H,10-11,14-15H2,1H3.
What are the key properties of 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol?
3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol has a molecular weight of 349.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methyl-3-phenylimidazol-4-yl)methyl]morpholin-2-yl]phenol is sourced from PubChem (CID 75514974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).