1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide

C13H11BrN4O3 — CID 158971720

IUPAC1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cccc3c2ncn3Br)C(=O)N1
InChIInChI=1S/C13H11BrN4O3/c14-18-6-15-11-7(2-1-3-9(11)18)12(20)16-8-4-5-10(19)17-13(8)21/h1-3,6,8H,4-5H2,(H,16,20)(H,17,19,21)
InChIKeyLTFHIJAJWWRPEZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP0.73
Rot. Bonds2

About 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide

1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide (PubChem CID 158971720) has the molecular formula C13H11BrN4O3 and a molecular weight of 351.16 g/mol. Its IUPAC name is 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide
PubChem CID158971720
Molecular FormulaC13H11BrN4O3
Molecular Weight351.16 g/mol
Exact Mass350.00
IUPAC Name1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cccc3c2ncn3Br)C(=O)N1
InChIInChI=1S/C13H11BrN4O3/c14-18-6-15-11-7(2-1-3-9(11)18)12(20)16-8-4-5-10(19)17-13(8)21/h1-3,6,8H,4-5H2,(H,16,20)(H,17,19,21)
InChIKeyLTFHIJAJWWRPEZ-UHFFFAOYSA-N
XLogP0.73
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 153384900
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
N-(2,6-dioxopiperidin-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103822655
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
2-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)pyridine-3-carboxamide
CID 110475174
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 171788321
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formylbenzamide
CID 134581835

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide?
The IUPAC name of 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide (CID 158971720) is 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide.
What is the SMILES notation for 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide?
The canonical SMILES for 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide is O=C1CCC(NC(=O)c2cccc3c2ncn3Br)C(=O)N1.
What is the InChIKey of 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide?
The InChIKey is LTFHIJAJWWRPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O3/c14-18-6-15-11-7(2-1-3-9(11)18)12(20)16-8-4-5-10(19)17-13(8)21/h1-3,6,8H,4-5H2,(H,16,20)(H,17,19,21).
What are the key properties of 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide?
1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide has a molecular weight of 351.16 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide is sourced from PubChem (CID 158971720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).