[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

C18H24N4O2 — CID 125003588

IUPAC[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-10-19-17(20-13)16-12-22(8-9-24-16)18(23)15-6-4-14(5-7-15)11-21(2)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeySSQAHSGAOFVOOE-MRXNPFEDSA-N
MW328.42 g/mol
LogP1.99
Rot. Bonds4

About [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone

[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (PubChem CID 125003588) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
PubChem CID125003588
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
SMILESCc1cnc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)[nH]1
InChIInChI=1S/C18H24N4O2/c1-13-10-19-17(20-13)16-12-22(8-9-24-16)18(23)15-6-4-14(5-7-15)11-21(2)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,19,20)/t16-/m1/s1
InChIKeySSQAHSGAOFVOOE-MRXNPFEDSA-N
XLogP1.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125010402
[4-[(dimethylamino)methyl]phenyl]-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124955112
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 125016289
(6-imidazol-1-yl-3-pyridinyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105279
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124978039
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylpropan-1-one
CID 124972553
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124995705
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105208

Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone (CID 125003588) is [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is Cc1cnc([C@H]2CN(C(=O)c3ccc(CN(C)C)cc3)CCO2)[nH]1.
What is the InChIKey of [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is SSQAHSGAOFVOOE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-10-19-17(20-13)16-12-22(8-9-24-16)18(23)15-6-4-14(5-7-15)11-21(2)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,19,20)/t16-/m1/s1.
What are the key properties of [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone?
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 125003588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).