3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione

C12H11IN4O2 — CID 66080420

IUPAC3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione
SMILESNc1nc2cc(I)ccc2n1C1CCC(=O)NC1=O
InChIInChI=1S/C12H11IN4O2/c13-6-1-2-8-7(5-6)15-12(14)17(8)9-3-4-10(18)16-11(9)19/h1-2,5,9H,3-4H2,(H2,14,15)(H,16,18,19)
InChIKeyYDNPVXQHLQDOKD-UHFFFAOYSA-N
MW370.15 g/mol
LogP1.20
Rot. Bonds1

About 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione

3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 66080420) has the molecular formula C12H11IN4O2 and a molecular weight of 370.15 g/mol. Its IUPAC name is 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID66080420
Molecular FormulaC12H11IN4O2
Molecular Weight370.15 g/mol
Exact Mass369.99
IUPAC Name3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione
SMILESNc1nc2cc(I)ccc2n1C1CCC(=O)NC1=O
InChIInChI=1S/C12H11IN4O2/c13-6-1-2-8-7(5-6)15-12(14)17(8)9-3-4-10(18)16-11(9)19/h1-2,5,9H,3-4H2,(H2,14,15)(H,16,18,19)
InChIKeyYDNPVXQHLQDOKD-UHFFFAOYSA-N
XLogP1.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzimidazol-2-amine
CID 66080019
3-[2-(1-chloroethyl)-5-iodobenzimidazol-1-yl]piperidin-2-one
CID 66081655
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
5-iodo-1-(2-methyloxolan-3-yl)benzimidazol-2-amine
CID 82729283
3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 110491555
3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
CID 167470600
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 171934885
(3R)-3-(5-amino-7-fluoro-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146338076
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
1-[(1,1-dioxothiolan-2-yl)methyl]-5-iodobenzimidazol-2-amine
CID 81040834
(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

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione (CID 66080420) is 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione is Nc1nc2cc(I)ccc2n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is YDNPVXQHLQDOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11IN4O2/c13-6-1-2-8-7(5-6)15-12(14)17(8)9-3-4-10(18)16-11(9)19/h1-2,5,9H,3-4H2,(H2,14,15)(H,16,18,19).
What are the key properties of 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione?
3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 370.15 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-iodobenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 66080420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).