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

C19H21FN4O2 — CID 155983480

IUPAC[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)n1
InChIInChI=1S/C19H21FN4O2/c1-11-9-23(3)18(21-11)16-10-24(6-7-26-16)19(25)17-12(2)14-8-13(20)4-5-15(14)22-17/h4-5,8-9,16,22H,6-7,10H2,1-3H3
InChIKeySMJGONOMVZBILM-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.87
Rot. Bonds2

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

[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone (PubChem CID 155983480) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
PubChem CID155983480
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
SMILESCc1cn(C)c(C2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)n1
InChIInChI=1S/C19H21FN4O2/c1-11-9-23(3)18(21-11)16-10-24(6-7-26-16)19(25)17-12(2)14-8-13(20)4-5-15(14)22-17/h4-5,8-9,16,22H,6-7,10H2,1-3H3
InChIKeySMJGONOMVZBILM-UHFFFAOYSA-N
XLogP2.87
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.87
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

[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 155983479
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-methylthiophen-2-yl)methanone
CID 110105018
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone
CID 95829854
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38372236
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]methanone
CID 110105148
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1,2-dimethylindol-3-yl)methanone
CID 124989987
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
3-[2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 110105323
[(2R)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 124940324
3-chloro-5-[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 124992992
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 124988619
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 125013448

Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone (CID 155983480) is [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone is Cc1cn(C)c(C2CN(C(=O)c3[nH]c4ccc(F)cc4c3C)CCO2)n1.
What is the InChIKey of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
The InChIKey is SMJGONOMVZBILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c1-11-9-23(3)18(21-11)16-10-24(6-7-26-16)19(25)17-12(2)14-8-13(20)4-5-15(14)22-17/h4-5,8-9,16,22H,6-7,10H2,1-3H3.
What are the key properties of [2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone?
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.87, 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]-(5-fluoro-3-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 155983480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).