3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione

C12H12N4O3 — CID 110491555

IUPAC3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESNc1ccc2[nH]c(=O)n(C3CCC(=O)NC3=O)c2c1
InChIInChI=1S/C12H12N4O3/c13-6-1-2-7-9(5-6)16(12(19)14-7)8-3-4-10(17)15-11(8)18/h1-2,5,8H,3-4,13H2,(H,14,19)(H,15,17,18)
InChIKeyVTCNOWDWRGZWMX-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.11
Rot. Bonds1

About 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione

3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 110491555) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
PubChem CID110491555
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
SMILESNc1ccc2[nH]c(=O)n(C3CCC(=O)NC3=O)c2c1
InChIInChI=1S/C12H12N4O3/c13-6-1-2-7-9(5-6)16(12(19)14-7)8-3-4-10(17)15-11(8)18/h1-2,5,8H,3-4,13H2,(H,14,19)(H,15,17,18)
InChIKeyVTCNOWDWRGZWMX-UHFFFAOYSA-N
XLogP-0.11
TPSA109.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione
CID 66080420
3-(5-fluoro-6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 103592373
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
4-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-amino-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 158795821
3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
CID 81138605
5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one
CID 110723904
3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
CID 167470600
CID 166549716
CID 166549716
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 171934885
3-(2-oxo-3-prop-2-ynylbenzimidazol-1-yl)piperidine-2,6-dione
CID 162422025

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione (CID 110491555) is 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione is Nc1ccc2[nH]c(=O)n(C3CCC(=O)NC3=O)c2c1.
What is the InChIKey of 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is VTCNOWDWRGZWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c13-6-1-2-7-9(5-6)16(12(19)14-7)8-3-4-10(17)15-11(8)18/h1-2,5,8H,3-4,13H2,(H,14,19)(H,15,17,18).
What are the key properties of 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione?
3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 260.25 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 110491555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).