4-benzyl-3-imidazol-1-ylmorpholine

C14H17N3O — CID 126648378

IUPAC4-benzyl-3-imidazol-1-ylmorpholine
SMILESc1ccc(CN2CCOCC2n2ccnc2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-13(5-3-1)10-16-8-9-18-11-14(16)17-7-6-15-12-17/h1-7,12,14H,8-11H2
InChIKeyWBVAFHSEAASNPW-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.91
Rot. Bonds3

About 4-benzyl-3-imidazol-1-ylmorpholine

4-benzyl-3-imidazol-1-ylmorpholine (PubChem CID 126648378) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-benzyl-3-imidazol-1-ylmorpholine.

Molecular Properties

Compound Name4-benzyl-3-imidazol-1-ylmorpholine
PubChem CID126648378
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-benzyl-3-imidazol-1-ylmorpholine
SMILESc1ccc(CN2CCOCC2n2ccnc2)cc1
InChIInChI=1S/C14H17N3O/c1-2-4-13(5-3-1)10-16-8-9-18-11-14(16)17-7-6-15-12-17/h1-7,12,14H,8-11H2
InChIKeyWBVAFHSEAASNPW-UHFFFAOYSA-N
XLogP1.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-4-benzyl-3-ethylmorpholine
CID 54501252
1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
2-(4-benzylmorpholin-3-yl)ethanol
CID 53429129
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
CID 124846677
2-[(3R)-4-benzylmorpholin-3-yl]acetonitrile
CID 27281589
N-[[(3R)-4-benzylmorpholin-3-yl]methyl]ethanamine
CID 99629716
(3S)-4-benzyl-3-[(3S)-morpholin-3-yl]morpholine
CID 16742169
1-(oxolan-3-yl)imidazole
CID 63810500
(4-benzylmorpholin-3-yl)methylcarbamic acid
CID 21104643
(3R)-N,4-dibenzylmorpholine-3-carboxamide
CID 143132848
(3S)-3-(2-methylpropyl)-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine
CID 99948939
(3S)-2-benzyl-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67667874

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-imidazol-1-ylmorpholine?
The IUPAC name of 4-benzyl-3-imidazol-1-ylmorpholine (CID 126648378) is 4-benzyl-3-imidazol-1-ylmorpholine.
What is the SMILES notation for 4-benzyl-3-imidazol-1-ylmorpholine?
The canonical SMILES for 4-benzyl-3-imidazol-1-ylmorpholine is c1ccc(CN2CCOCC2n2ccnc2)cc1.
What is the InChIKey of 4-benzyl-3-imidazol-1-ylmorpholine?
The InChIKey is WBVAFHSEAASNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-4-13(5-3-1)10-16-8-9-18-11-14(16)17-7-6-15-12-17/h1-7,12,14H,8-11H2.
What are the key properties of 4-benzyl-3-imidazol-1-ylmorpholine?
4-benzyl-3-imidazol-1-ylmorpholine has a molecular weight of 243.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-imidazol-1-ylmorpholine is sourced from PubChem (CID 126648378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).