(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine

C15H19N3O — CID 70161855

IUPAC(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
SMILESc1ccc(CN2CCO[C@@H](Cc3ncc[nH]3)C2)cc1
InChIInChI=1S/C15H19N3O/c1-2-4-13(5-3-1)11-18-8-9-19-14(12-18)10-15-16-6-7-17-15/h1-7,14H,8-12H2,(H,16,17)/t14-/m0/s1
InChIKeyYCLMFRPIAQWCPJ-AWEZNQCLSA-N
MW257.34 g/mol
LogP1.85
Rot. Bonds4

About (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine

(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine (PubChem CID 70161855) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
PubChem CID70161855
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
SMILESc1ccc(CN2CCO[C@@H](Cc3ncc[nH]3)C2)cc1
InChIInChI=1S/C15H19N3O/c1-2-4-13(5-3-1)11-18-8-9-19-14(12-18)10-15-16-6-7-17-15/h1-7,14H,8-12H2,(H,16,17)/t14-/m0/s1
InChIKeyYCLMFRPIAQWCPJ-AWEZNQCLSA-N
XLogP1.85
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine
CID 70159870
(2R)-2-[(4-fluorophenyl)methyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124966375
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336198
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine;(3S)-3-(1H-imidazol-2-ylmethyl)piperidine
CID 158336197
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
4-benzyl-2-[(2-fluoro-3-methylphenyl)methyl]morpholine
CID 67073026
3-(4-benzylmorpholin-2-yl)propan-1-ol
CID 23079673
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
N-ethyl-N-[[4-(1H-imidazol-2-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872607

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine?
The IUPAC name of (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine (CID 70161855) is (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine.
What is the SMILES notation for (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine?
The canonical SMILES for (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine is c1ccc(CN2CCO[C@@H](Cc3ncc[nH]3)C2)cc1.
What is the InChIKey of (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine?
The InChIKey is YCLMFRPIAQWCPJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-4-13(5-3-1)11-18-8-9-19-14(12-18)10-15-16-6-7-17-15/h1-7,14H,8-12H2,(H,16,17)/t14-/m0/s1.
What are the key properties of (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine?
(2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine has a molecular weight of 257.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-2-(1H-imidazol-2-ylmethyl)morpholine is sourced from PubChem (CID 70161855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).