5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

C23H25N5O2 — CID 133445479

IUPAC5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1nc2ccccc2n1C1CCN(c2nc(-c3cccc(OC)c3)no2)CC1
InChIInChI=1S/C23H25N5O2/c1-3-21-24-19-9-4-5-10-20(19)28(21)17-11-13-27(14-12-17)23-25-22(26-30-23)16-7-6-8-18(15-16)29-2/h4-10,15,17H,3,11-14H2,1-2H3
InChIKeyWWJQZKKIOVIUDY-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.50
Rot. Bonds5

About 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole

5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 133445479) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID133445479
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
SMILESCCc1nc2ccccc2n1C1CCN(c2nc(-c3cccc(OC)c3)no2)CC1
InChIInChI=1S/C23H25N5O2/c1-3-21-24-19-9-4-5-10-20(19)28(21)17-11-13-27(14-12-17)23-25-22(26-30-23)16-7-6-8-18(15-16)29-2/h4-10,15,17H,3,11-14H2,1-2H3
InChIKeyWWJQZKKIOVIUDY-UHFFFAOYSA-N
XLogP4.50
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

N-(2-fluorophenyl)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-amine
CID 133330879
2-ethyl-1-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]benzimidazole
CID 127733592
5-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 133344398
2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
5-(2-azabicyclo[2.2.1]heptan-2-yl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 75422616
methyl (3S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxylate
CID 133326662
4-[[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 133322362
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
2-ethyl-1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzimidazole
CID 133445454
2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
CID 26345971
3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 133346672
cyclopropyl-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812728

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole (CID 133445479) is 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is CCc1nc2ccccc2n1C1CCN(c2nc(-c3cccc(OC)c3)no2)CC1.
What is the InChIKey of 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WWJQZKKIOVIUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-21-24-19-9-4-5-10-20(19)28(21)17-11-13-27(14-12-17)23-25-22(26-30-23)16-7-6-8-18(15-16)29-2/h4-10,15,17H,3,11-14H2,1-2H3.
What are the key properties of 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole?
5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 403.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133445479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).