4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine

C23H19F3N4O — CID 123818187

IUPAC4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(N5CCOCC5)nc4)cc3)[nH]c2c1
InChIInChI=1S/C23H19F3N4O/c24-23(25,26)18-6-7-19-20(13-18)29-22(28-19)16-3-1-15(2-4-16)17-5-8-21(27-14-17)30-9-11-31-12-10-30/h1-8,13-14H,9-12H2,(H,28,29)
InChIKeyYLWOKVBXEDDDHU-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.15
Rot. Bonds3

About 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine

4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine (PubChem CID 123818187) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine
PubChem CID123818187
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC Name4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(N5CCOCC5)nc4)cc3)[nH]c2c1
InChIInChI=1S/C23H19F3N4O/c24-23(25,26)18-6-7-19-20(13-18)29-22(28-19)16-3-1-15(2-4-16)17-5-8-21(27-14-17)30-9-11-31-12-10-30/h1-8,13-14H,9-12H2,(H,28,29)
InChIKeyYLWOKVBXEDDDHU-UHFFFAOYSA-N
XLogP5.15
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56602927
methane;3-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclobutane-1,1-dicarboxylic acid
CID 162124039
2-[8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetic acid
CID 56603118
6-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxypyridine-3-carboxylic acid
CID 71110369
2-[4-(1-methylpyrazol-4-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 162661835
6-fluoro-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-benzimidazole
CID 130271324
2,2,2-trifluoroacetic acid;6-[4-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 44525267
2-(2,5-dimethylphenyl)-2-hydroxy-1-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 56960485
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
1-[5-[4-[6-[difluoro(iodo)methyl]-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 162590647
1-propyl-4-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxycyclohexane-1-carboxylic acid
CID 123864303
2-[(3aS,6aR)-5-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]acetic acid
CID 71110174

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine (CID 123818187) is 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine is FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(N5CCOCC5)nc4)cc3)[nH]c2c1.
What is the InChIKey of 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine?
The InChIKey is YLWOKVBXEDDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c24-23(25,26)18-6-7-19-20(13-18)29-22(28-19)16-3-1-15(2-4-16)17-5-8-21(27-14-17)30-9-11-31-12-10-30/h1-8,13-14H,9-12H2,(H,28,29).
What are the key properties of 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine?
4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine has a molecular weight of 424.43 g/mol, XLogP of 5.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]-2-pyridinyl]morpholine is sourced from PubChem (CID 123818187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).