[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

C20H24N4O2 — CID 155983479

IUPAC[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)n1
InChIInChI=1S/C20H24N4O2/c1-12-10-23(4)19(21-12)18-11-24(7-8-26-18)20(25)15-5-6-17-16(9-15)13(2)14(3)22-17/h5-6,9-10,18,22H,7-8,11H2,1-4H3
InChIKeyMLJCAWGDJMCBAC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.04
Rot. Bonds2

About [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone

[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone (PubChem CID 155983479) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
PubChem CID155983479
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)n1
InChIInChI=1S/C20H24N4O2/c1-12-10-23(4)19(21-12)18-11-24(7-8-26-18)20(25)15-5-6-17-16(9-15)13(2)14(3)22-17/h5-6,9-10,18,22H,7-8,11H2,1-4H3
InChIKeyMLJCAWGDJMCBAC-UHFFFAOYSA-N
XLogP3.04
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 155983480
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38372236
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129326330
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
(4aS,8aS)-6-(2,3-dimethyl-1H-indole-5-carbonyl)-4-methyl-5,7,8,8a-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
CID 110147248
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(2,3-dimethyl-1H-indol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 42958743
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124989987
3-[2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110105323

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone (CID 155983479) is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone.
What is the SMILES notation for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The canonical SMILES for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone is Cc1cn(C)c(C2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)CCO2)n1.
What is the InChIKey of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
The InChIKey is MLJCAWGDJMCBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-10-23(4)19(21-12)18-11-24(7-8-26-18)20(25)15-5-6-17-16(9-15)13(2)14(3)22-17/h5-6,9-10,18,22H,7-8,11H2,1-4H3.
What are the key properties of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone?
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone has a molecular weight of 352.44 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone is sourced from PubChem (CID 155983479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).