4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine

C23H24F3N7O — CID 143838080

IUPAC4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C1=NC2CCCCC2N1c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C23H24F3N7O/c24-23(25,26)20-28-17-5-1-2-7-18(17)33(20)22-30-19(15-4-3-6-16-14(15)8-9-27-16)29-21(31-22)32-10-12-34-13-11-32/h3-4,6,8-9,17-18,27H,1-2,5,7,10-13H2
InChIKeyIXMQNQVXIABQHX-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.95
Rot. Bonds3

About 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine

4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine (PubChem CID 143838080) has the molecular formula C23H24F3N7O and a molecular weight of 471.49 g/mol. Its IUPAC name is 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
PubChem CID143838080
Molecular FormulaC23H24F3N7O
Molecular Weight471.49 g/mol
Exact Mass471.20
IUPAC Name4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine
SMILESFC(F)(F)C1=NC2CCCCC2N1c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C23H24F3N7O/c24-23(25,26)20-28-17-5-1-2-7-18(17)33(20)22-30-19(15-4-3-6-16-14(15)8-9-27-16)29-21(31-22)32-10-12-34-13-11-32/h3-4,6,8-9,17-18,27H,1-2,5,7,10-13H2
InChIKeyIXMQNQVXIABQHX-UHFFFAOYSA-N
XLogP3.95
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine with MolForge

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Related Compounds

4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
CID 70254008
4-(1H-indol-4-yl)-6-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-1,3,5-triazin-2-amine
CID 58508140
1-[2-(1H-indol-4-yl)-6-morpholin-4-ylpyrimidin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 25098228
4-[2-(1H-indol-4-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
CID 58137106
4-[6-(1H-indol-4-yl)-9-piperidin-4-ylpurin-2-yl]morpholine
CID 25256463
4-[2-(1H-indol-4-yl)-6-(1-methylsulfinylcyclopropyl)pyrimidin-4-yl]morpholine
CID 142469063
4-[2-[azetidin-2-yl(piperidin-1-yl)methyl]-5-(1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 66937963
ethyl 11-[4-(1H-indol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-11-azatricyclo[5.4.0.08,10]undeca-1(7),2,5-triene-10-carboxylate;molecular hydrogen
CID 143838039
4-[6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 58117040
6-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(1H-indol-4-yl)-4-morpholin-4-ylfuro[3,2-d]pyrimidine
CID 25124048
4-[2-(1H-indol-4-yl)-6-(piperazin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24938019
4-[4-morpholin-4-yl-6-(6-piperidin-1-yl-2-pyridinyl)-1,3,5-triazin-2-yl]morpholine
CID 58508085

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine (CID 143838080) is 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine is FC(F)(F)C1=NC2CCCCC2N1c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
The InChIKey is IXMQNQVXIABQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O/c24-23(25,26)20-28-17-5-1-2-7-18(17)33(20)22-30-19(15-4-3-6-16-14(15)8-9-27-16)29-21(31-22)32-10-12-34-13-11-32/h3-4,6,8-9,17-18,27H,1-2,5,7,10-13H2.
What are the key properties of 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine?
4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine has a molecular weight of 471.49 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-indol-4-yl)-6-[2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrobenzimidazol-1-yl]-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 143838080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).