5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C16H20N6O2 — CID 133455374

IUPAC5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(c3nc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C16H20N6O2/c1-23-11-14-19-15(24-20-14)10-21-6-8-22(9-7-21)16-17-12-4-2-3-5-13(12)18-16/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyIWEUCSSEFIVQFB-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.41
Rot. Bonds5

About 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 133455374) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID133455374
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(c3nc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C16H20N6O2/c1-23-11-14-19-15(24-20-14)10-21-6-8-22(9-7-21)16-17-12-4-2-3-5-13(12)18-16/h2-5H,6-11H2,1H3,(H,17,18)
InChIKeyIWEUCSSEFIVQFB-UHFFFAOYSA-N
XLogP1.41
TPSA83.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 86885567
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137264219
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99826427
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381
3-(methoxymethyl)-5-[(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methyl]-1,2,4-oxadiazole
CID 154571853
3-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
2-[4-(2-chloroethyl)piperazin-1-yl]-1H-benzimidazole
CID 63392230
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
3-[(4-methoxyphenoxy)methyl]-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 17488526
3-(methoxymethyl)-5-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1,2,4-oxadiazole
CID 72889845
5-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 91835641
3-[2-[3-[(4-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 72915693

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 133455374) is 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(CN2CCN(c3nc4ccccc4[nH]3)CC2)n1.
What is the InChIKey of 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is IWEUCSSEFIVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-23-11-14-19-15(24-20-14)10-21-6-8-22(9-7-21)16-17-12-4-2-3-5-13(12)18-16/h2-5H,6-11H2,1H3,(H,17,18).
What are the key properties of 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 328.38 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 133455374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).