[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone

C19H24N4O2 — CID 125010402

IUPAC[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCc1cnc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CCO2)[nH]1
InChIInChI=1S/C19H24N4O2/c1-14-12-20-18(21-14)17-13-23(10-11-25-17)19(24)15-4-6-16(7-5-15)22-8-2-3-9-22/h4-7,12,17H,2-3,8-11,13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyVJENKBSRCITWSA-KRWDZBQOSA-N
MW340.43 g/mol
LogP2.53
Rot. Bonds3

About [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone

[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone (PubChem CID 125010402) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
PubChem CID125010402
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
SMILESCc1cnc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CCO2)[nH]1
InChIInChI=1S/C19H24N4O2/c1-14-12-20-18(21-14)17-13-23(10-11-25-17)19(24)15-4-6-16(7-5-15)22-8-2-3-9-22/h4-7,12,17H,2-3,8-11,13H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyVJENKBSRCITWSA-KRWDZBQOSA-N
XLogP2.53
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 125003588
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110104959
[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 125009661
[(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
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 125021403
[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(1-methylpiperidin-4-yl)methanone
CID 124947783
6-methyl-4-[2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 155983475
(6-methylimidazo[1,2-a]pyridin-2-yl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105201
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
5-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholine-4-carbonyl]-1H-pyrimidin-6-one
CID 124954553

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone (CID 125010402) is [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone is Cc1cnc([C@@H]2CN(C(=O)c3ccc(N4CCCC4)cc3)CCO2)[nH]1.
What is the InChIKey of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is VJENKBSRCITWSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-12-20-18(21-14)17-13-23(10-11-25-17)19(24)15-4-6-16(7-5-15)22-8-2-3-9-22/h4-7,12,17H,2-3,8-11,13H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone?
[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(4-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 125010402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).