(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine

C22H25N3OS — CID 25499114

IUPAC(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine
SMILESCn1c(-c2ccccc2)cnc1SC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H25N3OS/c1-24-21(19-10-6-3-7-11-19)14-23-22(24)27-17-20-16-25(12-13-26-20)15-18-8-4-2-5-9-18/h2-11,14,20H,12-13,15-17H2,1H3/t20-/m1/s1
InChIKeyUHPXRVVENISKNH-HXUWFJFHSA-N
MW379.53 g/mol
LogP4.08
Rot. Bonds6

About (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine

(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine (PubChem CID 25499114) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine
PubChem CID25499114
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC Name(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine
SMILESCn1c(-c2ccccc2)cnc1SC[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H25N3OS/c1-24-21(19-10-6-3-7-11-19)14-23-22(24)27-17-20-16-25(12-13-26-20)15-18-8-4-2-5-9-18/h2-11,14,20H,12-13,15-17H2,1H3/t20-/m1/s1
InChIKeyUHPXRVVENISKNH-HXUWFJFHSA-N
XLogP4.08
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[(2-chlorophenyl)methyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 8523033
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
(2R)-4-[(2-chlorophenyl)methyl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9373218
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30531633
1-[[(2S)-oxolan-2-yl]methyl]-2-[[(2S)-oxolan-2-yl]methylsulfanyl]-5-phenylimidazole
CID 94578664
(2S)-4-[(2-chlorophenyl)methyl]-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]morpholine
CID 9464756
1-[(4-benzylmorpholin-2-yl)methylsulfanyl]-4-butyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 17486728
2-[(4-benzylmorpholin-2-yl)methylsulfanyl]-3-(4-ethylphenyl)quinazolin-4-one
CID 4833615
2-benzyl-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126784932
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 52529830
1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221

Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine?
The IUPAC name of (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine (CID 25499114) is (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine.
What is the SMILES notation for (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine?
The canonical SMILES for (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine is Cn1c(-c2ccccc2)cnc1SC[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine?
The InChIKey is UHPXRVVENISKNH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-24-21(19-10-6-3-7-11-19)14-23-22(24)27-17-20-16-25(12-13-26-20)15-18-8-4-2-5-9-18/h2-11,14,20H,12-13,15-17H2,1H3/t20-/m1/s1.
What are the key properties of (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine?
(2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine has a molecular weight of 379.53 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-[(1-methyl-5-phenylimidazol-2-yl)sulfanylmethyl]morpholine is sourced from PubChem (CID 25499114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).