3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione

C13H16N4O3 — CID 156533490

IUPAC3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESCN1c2c(N)cccc2N(C2CCC(=O)NC2=O)C1O
InChIInChI=1S/C13H16N4O3/c1-16-11-7(14)3-2-4-8(11)17(13(16)20)9-5-6-10(18)15-12(9)19/h2-4,9,13,20H,5-6,14H2,1H3,(H,15,18,19)
InChIKeyFEUQVUMHJFRCQD-UHFFFAOYSA-N
MW276.30 g/mol
LogP-0.39
Rot. Bonds1

About 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione

3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 156533490) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
PubChem CID156533490
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESCN1c2c(N)cccc2N(C2CCC(=O)NC2=O)C1O
InChIInChI=1S/C13H16N4O3/c1-16-11-7(14)3-2-4-8(11)17(13(16)20)9-5-6-10(18)15-12(9)19/h2-4,9,13,20H,5-6,14H2,1H3,(H,15,18,19)
InChIKeyFEUQVUMHJFRCQD-UHFFFAOYSA-N
XLogP-0.39
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-[[4-(4-aminocyclohexyl)piperazin-1-yl]methyl]azetidin-1-yl]-2-hydroxy-3-methyl-2H-benzimidazol-1-yl]piperidine-2,6-dione
CID 170954142
3-(2-hydroxy-3-methyl-5-piperazin-1-yl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 167470171
3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 166994674
3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 156860734
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 71499176
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methanamine
CID 160955629
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrate
CID 135349767
3-(4-amino-3-methylidene-1-oxoisoindol-2-yl)piperidine-2,6-dione
CID 154595724
3-(1,7-diamino-1-hydroxy-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 91340958
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-(4-iodo-1-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156528333

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione (CID 156533490) is 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione is CN1c2c(N)cccc2N(C2CCC(=O)NC2=O)C1O.
What is the InChIKey of 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is FEUQVUMHJFRCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-16-11-7(14)3-2-4-8(11)17(13(16)20)9-5-6-10(18)15-12(9)19/h2-4,9,13,20H,5-6,14H2,1H3,(H,15,18,19).
What are the key properties of 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione?
3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of -0.39, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 156533490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).