[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

C23H24F3N3O4 — CID 67170002

IUPAC[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESCc1nc2cc(C(=O)N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)ccc2n1CCO
InChIInChI=1S/C23H24F3N3O4/c1-15-27-20-13-16(5-6-21(20)29(15)11-12-30)22(31)28-9-7-17(8-10-28)32-18-3-2-4-19(14-18)33-23(24,25)26/h2-6,13-14,17,30H,7-12H2,1H3
InChIKeyVZZGUZHULVMLBZ-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.92
Rot. Bonds6

About [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone

[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (PubChem CID 67170002) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
PubChem CID67170002
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
SMILESCc1nc2cc(C(=O)N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)ccc2n1CCO
InChIInChI=1S/C23H24F3N3O4/c1-15-27-20-13-16(5-6-21(20)29(15)11-12-30)22(31)28-9-7-17(8-10-28)32-18-3-2-4-19(14-18)33-23(24,25)26/h2-6,13-14,17,30H,7-12H2,1H3
InChIKeyVZZGUZHULVMLBZ-UHFFFAOYSA-N
XLogP3.92
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone with MolForge

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Related Compounds

4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67169178
4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 53235099
3-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168848
1-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]propan-1-one
CID 145486092
(5-methoxypyrazin-2-yl)-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67169671
2-[1-[4-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]phenyl]ethylamino]acetamide
CID 70664464
(1,3-dimethylindazol-5-yl)-[4-(3-ethoxyphenoxy)piperidin-1-yl]methanone
CID 140595019
4-[4-[3-(2,2,2-trifluoroethoxy)phenoxy]piperidine-1-carbonyl]benzamide
CID 67170684
6-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 67168125
1,8-naphthyridin-2-yl-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone
CID 67171137
N,N-dimethyl-2-[4-[3-(trifluoromethoxy)phenoxy]piperidine-1-carbonyl]benzenesulfonamide
CID 67168967
[1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]benzimidazol-5-yl]-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 46190582

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone (CID 67170002) is [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is Cc1nc2cc(C(=O)N3CCC(Oc4cccc(OC(F)(F)F)c4)CC3)ccc2n1CCO.
What is the InChIKey of [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
The InChIKey is VZZGUZHULVMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-15-27-20-13-16(5-6-21(20)29(15)11-12-30)22(31)28-9-7-17(8-10-28)32-18-3-2-4-19(14-18)33-23(24,25)26/h2-6,13-14,17,30H,7-12H2,1H3.
What are the key properties of [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone?
[1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone has a molecular weight of 463.46 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)-2-methylbenzimidazol-5-yl]-[4-[3-(trifluoromethoxy)phenoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 67170002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).