1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C21H22F3N3O — CID 24815354

IUPAC1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCn1c(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H22F3N3O/c1-26-18-8-3-2-7-17(18)25-19(26)14-27-11-9-20(28,10-12-27)15-5-4-6-16(13-15)21(22,23)24/h2-8,13,28H,9-12,14H2,1H3
InChIKeyKOCCNBWBXWOOFM-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.08
Rot. Bonds3

About 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 24815354) has the molecular formula C21H22F3N3O and a molecular weight of 389.42 g/mol. Its IUPAC name is 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID24815354
Molecular FormulaC21H22F3N3O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCn1c(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21
InChIInChI=1S/C21H22F3N3O/c1-26-18-8-3-2-7-17(18)25-19(26)14-27-11-9-20(28,10-12-27)15-5-4-6-16(13-15)21(22,23)24/h2-8,13,28H,9-12,14H2,1H3
InChIKeyKOCCNBWBXWOOFM-UHFFFAOYSA-N
XLogP4.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
ethanol;2-[4-[(1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]-4-(trifluoromethyl)benzenethiol
CID 167443695
1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 3784702
1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978600
1-[(1-phenylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 10597114
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129485616
[1-[[1-(2-methylpropyl)benzimidazol-2-yl]methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanol
CID 25285461
1-methyl-2-[[4-[2-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]benzimidazole
CID 46225320
1-methyl-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzimidazole
CID 22958604
1-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 26323075
N-(2,6-dimethylphenyl)-3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propanamide
CID 171986071
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 56701286

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 24815354) is 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is Cn1c(CN2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21.
What is the InChIKey of 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is KOCCNBWBXWOOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O/c1-26-18-8-3-2-7-17(18)25-19(26)14-27-11-9-20(28,10-12-27)15-5-4-6-16(13-15)21(22,23)24/h2-8,13,28H,9-12,14H2,1H3.
What are the key properties of 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 389.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylbenzimidazol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 24815354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).