[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone

C22H23N3O2 — CID 25286761

IUPAC[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c1-16-20(24-21(23-16)18-10-6-3-7-11-18)22(26)25-12-13-27-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyMTARTRJWVZOIBJ-IBGZPJMESA-N
MW361.44 g/mol
LogP3.47
Rot. Bonds4

About [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone

[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone (PubChem CID 25286761) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
PubChem CID25286761
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
SMILESCc1[nH]c(-c2ccccc2)nc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c1-16-20(24-21(23-16)18-10-6-3-7-11-18)22(26)25-12-13-27-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,23,24)/t19-/m0/s1
InChIKeyMTARTRJWVZOIBJ-IBGZPJMESA-N
XLogP3.47
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56873824
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56751469
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610
5-amino-6-(2-benzylmorpholine-4-carbonyl)-1H-pyrimidine-2,4-dione
CID 132971327
3-(2-benzylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 110740947
[(2R)-2-benzylmorpholin-4-yl]-(2-propan-2-yl-1,3-thiazol-4-yl)methanone
CID 42392462
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974
(5-aminopyrazolo[1,5-a]pyridin-3-yl)-(2-benzylmorpholin-4-yl)methanone
CID 154785720

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone (CID 25286761) is [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone is Cc1[nH]c(-c2ccccc2)nc1C(=O)N1CCO[C@@H](Cc2ccccc2)C1.
What is the InChIKey of [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The InChIKey is MTARTRJWVZOIBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-20(24-21(23-16)18-10-6-3-7-11-18)22(26)25-12-13-27-19(15-25)14-17-8-4-2-5-9-17/h2-11,19H,12-15H2,1H3,(H,23,24)/t19-/m0/s1.
What are the key properties of [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone has a molecular weight of 361.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 25286761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).