1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

C24H26N6O4 — CID 134051826

IUPAC1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccc(-c2noc(CN3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1
InChIInChI=1S/C24H26N6O4/c1-27-19-5-3-4-6-20(19)30(24(27)32)16-22(31)29-13-11-28(12-14-29)15-21-25-23(26-34-21)17-7-9-18(33-2)10-8-17/h3-10H,11-16H2,1-2H3
InChIKeyNHCKLYGGSAMUOH-UHFFFAOYSA-N
MW462.51 g/mol
LogP1.74
Rot. Bonds6

About 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 134051826) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
PubChem CID134051826
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Name1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccc(-c2noc(CN3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1
InChIInChI=1S/C24H26N6O4/c1-27-19-5-3-4-6-20(19)30(24(27)32)16-22(31)29-13-11-28(12-14-29)15-21-25-23(26-34-21)17-7-9-18(33-2)10-8-17/h3-10H,11-16H2,1-2H3
InChIKeyNHCKLYGGSAMUOH-UHFFFAOYSA-N
XLogP1.74
TPSA98.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one
CID 39686604
10-[2-oxo-2-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]acridin-9-one
CID 37249746
1-[[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-3-methylbenzimidazole-2-thione
CID 46698590
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 53148661
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30741331
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 30461958
2-methoxy-1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 86924494
1-ethyl-3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]benzimidazol-2-one
CID 16606341
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 55652028
1-[3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]-3-phenylurea
CID 24614323

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 134051826) is 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is COc1ccc(-c2noc(CN3CCN(C(=O)Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1.
What is the InChIKey of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The InChIKey is NHCKLYGGSAMUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-27-19-5-3-4-6-20(19)30(24(27)32)16-22(31)29-13-11-28(12-14-29)15-21-25-23(26-34-21)17-7-9-18(33-2)10-8-17/h3-10H,11-16H2,1-2H3.
What are the key properties of 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 462.51 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 134051826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).