(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

C18H18F3N5O2 — CID 26362524

IUPAC(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1nonc1C(=O)N1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C18H18F3N5O2/c1-10-16(24-28-23-10)17(27)25-7-5-13(6-8-25)26-11(2)22-14-9-12(18(19,20)21)3-4-15(14)26/h3-4,9,13H,5-8H2,1-2H3
InChIKeyXDOGVJDOLUKVJN-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.53
Rot. Bonds2

About (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (PubChem CID 26362524) has the molecular formula C18H18F3N5O2 and a molecular weight of 393.37 g/mol. Its IUPAC name is (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
PubChem CID26362524
Molecular FormulaC18H18F3N5O2
Molecular Weight393.37 g/mol
Exact Mass393.14
IUPAC Name(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
SMILESCc1nonc1C(=O)N1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C18H18F3N5O2/c1-10-16(24-28-23-10)17(27)25-7-5-13(6-8-25)26-11(2)22-14-9-12(18(19,20)21)3-4-15(14)26/h3-4,9,13H,5-8H2,1-2H3
InChIKeyXDOGVJDOLUKVJN-UHFFFAOYSA-N
XLogP3.53
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone
CID 1084752
[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42479114
2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 649306
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 3219917
N-(furan-2-ylmethyl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]acetamide
CID 3219915
(2,4-difluorophenyl)-[4-(5-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 1469473
N-tert-butyl-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-ium-1-yl]acetamide
CID 6986415
1-[4-[2-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 42483350
[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 45166623
(1-cyclopentyl-2-methylbenzimidazol-5-yl)-piperazin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 71305225
1-[4-[2-(1,3-benzodioxol-5-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]butan-1-one
CID 42431560
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-2-methylpropan-1-ol
CID 117362935

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone (CID 26362524) is (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is Cc1nonc1C(=O)N1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
The InChIKey is XDOGVJDOLUKVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O2/c1-10-16(24-28-23-10)17(27)25-7-5-13(6-8-25)26-11(2)22-14-9-12(18(19,20)21)3-4-15(14)26/h3-4,9,13H,5-8H2,1-2H3.
What are the key properties of (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone?
(4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 393.37 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,2,5-oxadiazol-3-yl)-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 26362524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).