2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol

C22H24F6N4O3 — CID 177304050

IUPAC2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
SMILESCC1CC(O)(c2nc(C(F)(F)F)co2)CC(COc2cc(C(F)(F)F)c3c(c2)ncn3C(C)C)N1
InChIInChI=1S/C22H24F6N4O3/c1-11(2)32-10-29-16-5-14(4-15(18(16)32)21(23,24)25)34-8-13-7-20(33,6-12(3)30-13)19-31-17(9-35-19)22(26,27)28/h4-5,9-13,30,33H,6-8H2,1-3H3
InChIKeyJXAJMXQQWLHPIQ-UHFFFAOYSA-N
MW506.45 g/mol
LogP5.05
Rot. Bonds5

About 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol

2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol (PubChem CID 177304050) has the molecular formula C22H24F6N4O3 and a molecular weight of 506.45 g/mol. Its IUPAC name is 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
PubChem CID177304050
Molecular FormulaC22H24F6N4O3
Molecular Weight506.45 g/mol
Exact Mass506.18
IUPAC Name2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
SMILESCC1CC(O)(c2nc(C(F)(F)F)co2)CC(COc2cc(C(F)(F)F)c3c(c2)ncn3C(C)C)N1
InChIInChI=1S/C22H24F6N4O3/c1-11(2)32-10-29-16-5-14(4-15(18(16)32)21(23,24)25)34-8-13-7-20(33,6-12(3)30-13)19-31-17(9-35-19)22(26,27)28/h4-5,9-13,30,33H,6-8H2,1-3H3
InChIKeyJXAJMXQQWLHPIQ-UHFFFAOYSA-N
XLogP5.05
TPSA85.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.45
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol with MolForge

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Related Compounds

(2S,4S,6S)-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-6-methyl-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol
CID 177304512
(2S,4S,6S)-2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]piperidin-4-ol
CID 177304434
(2S,4S,6S)-2-[(7-chloro-1-propan-2-ylbenzimidazol-5-yl)oxymethyl]-6-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-4-ol
CID 177304277
4-[(2S,4S,6S)-4-hydroxy-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-6-methylpiperidin-4-yl]benzonitrile
CID 177304373
4-[6-(difluoromethyl)-2-pyridinyl]-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-6-methylpiperidin-4-ol
CID 177304149
3-[(2S,4S,6S)-4-hydroxy-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-6-methylpiperidin-4-yl]benzonitrile
CID 177304529
(2S,4S,6S)-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-methylbenzimidazol-5-yl]oxymethyl]-6-methyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 177303994
(2S,6S)-2-[[1-(2,2-difluoroethyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-6-methylpiperidin-4-one
CID 177304019
4-[6-(difluoromethyl)-3-pyridinyl]-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)indazol-5-yl]oxymethyl]-6-methylpiperidin-4-ol
CID 177304423
tert-butyl (2S,6S)-2-methyl-4-oxo-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]piperidine-1-carboxylate
CID 177304414
(2S,4S)-2-[[1-(3-hydroxy-3-methylcyclobutyl)-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 177303969
5-[[4-hydroxy-6-methyl-4-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]piperidin-2-yl]methoxy]-2-(propan-2-ylamino)-3-(trifluoromethyl)benzonitrile
CID 177304503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
The IUPAC name of 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol (CID 177304050) is 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol.
What is the SMILES notation for 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
The canonical SMILES for 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol is CC1CC(O)(c2nc(C(F)(F)F)co2)CC(COc2cc(C(F)(F)F)c3c(c2)ncn3C(C)C)N1.
What is the InChIKey of 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
The InChIKey is JXAJMXQQWLHPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F6N4O3/c1-11(2)32-10-29-16-5-14(4-15(18(16)32)21(23,24)25)34-8-13-7-20(33,6-12(3)30-13)19-31-17(9-35-19)22(26,27)28/h4-5,9-13,30,33H,6-8H2,1-3H3.
What are the key properties of 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol?
2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol has a molecular weight of 506.45 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[1-propan-2-yl-7-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]-4-[4-(trifluoromethyl)-1,3-oxazol-2-yl]piperidin-4-ol is sourced from PubChem (CID 177304050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).