10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid

C22H29N3O5 — CID 167386252

IUPAC10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid
SMILESO=C(O)CCCCCCCCCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H29N3O5/c26-19-14-13-18(21(29)23-19)25-17-11-8-7-10-16(17)24(22(25)30)15-9-5-3-1-2-4-6-12-20(27)28/h7-8,10-11,18H,1-6,9,12-15H2,(H,27,28)(H,23,26,29)
InChIKeyAGWHWKQZVJHEBZ-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.99
Rot. Bonds11

About 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid

10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid (PubChem CID 167386252) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid.

Molecular Properties

Compound Name10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid
PubChem CID167386252
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid
SMILESO=C(O)CCCCCCCCCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21
InChIInChI=1S/C22H29N3O5/c26-19-14-13-18(21(29)23-19)25-17-11-8-7-10-16(17)24(22(25)30)15-9-5-3-1-2-4-6-12-20(27)28/h7-8,10-11,18H,1-6,9,12-15H2,(H,27,28)(H,23,26,29)
InChIKeyAGWHWKQZVJHEBZ-UHFFFAOYSA-N
XLogP2.99
TPSA110.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidine-2,6-dione
CID 162422025
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
7-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]amino]heptanoic acid
CID 155177682
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 150528335
tert-butyl 8-[3-(2,7-dioxoazepan-3-yl)-2-oxoimidazo[4,5-b]pyridin-1-yl]octanoate
CID 171843936
3-[3-(difluoromethyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;ethane
CID 171641902
3-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-4-yl]propanoic acid
CID 166549761
benzyl 12-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]dodec-11-ynoate
CID 166118627
10-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyldecanoic acid
CID 151597791
2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]acetic acid
CID 155189429
13-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]sulfonyltridecanoic acid
CID 152564631

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid?
The IUPAC name of 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid (CID 167386252) is 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid.
What is the SMILES notation for 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid?
The canonical SMILES for 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid is O=C(O)CCCCCCCCCn1c(=O)n(C2CCC(=O)NC2=O)c2ccccc21.
What is the InChIKey of 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid?
The InChIKey is AGWHWKQZVJHEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5/c26-19-14-13-18(21(29)23-19)25-17-11-8-7-10-16(17)24(22(25)30)15-9-5-3-1-2-4-6-12-20(27)28/h7-8,10-11,18H,1-6,9,12-15H2,(H,27,28)(H,23,26,29).
What are the key properties of 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid?
10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid has a molecular weight of 415.49 g/mol, XLogP of 2.99, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(2,6-dioxopiperidin-3-yl)-2-oxobenzimidazol-1-yl]decanoic acid is sourced from PubChem (CID 167386252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).