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

C13H12N4O3 — CID 153384900

IUPACN-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cccc3[nH]cnc23)C(=O)N1
InChIInChI=1S/C13H12N4O3/c18-10-5-4-9(13(20)17-10)16-12(19)7-2-1-3-8-11(7)15-6-14-8/h1-3,6,9H,4-5H2,(H,14,15)(H,16,19)(H,17,18,20)
InChIKeyQXJAOYHMIOBQNK-UHFFFAOYSA-N
MW272.26 g/mol
LogP0.10
Rot. Bonds2

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

N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 153384900) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID153384900
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
SMILESO=C1CCC(NC(=O)c2cccc3[nH]cnc23)C(=O)N1
InChIInChI=1S/C13H12N4O3/c18-10-5-4-9(13(20)17-10)16-12(19)7-2-1-3-8-11(7)15-6-14-8/h1-3,6,9H,4-5H2,(H,14,15)(H,16,19)(H,17,18,20)
InChIKeyQXJAOYHMIOBQNK-UHFFFAOYSA-N
XLogP0.10
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-N-(2,6-dioxopiperidin-3-yl)benzimidazole-4-carboxamide
CID 158971720
N-cyclopropyl-1H-benzimidazole-4-carboxamide
CID 110700811
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
2-(1,2-difluoroethyl)-N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 171788321
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-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)-1H-imidazole-5-carboxamide
CID 110475285

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide (CID 153384900) is N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide is O=C1CCC(NC(=O)c2cccc3[nH]cnc23)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is QXJAOYHMIOBQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-10-5-4-9(13(20)17-10)16-12(19)7-2-1-3-8-11(7)15-6-14-8/h1-3,6,9H,4-5H2,(H,14,15)(H,16,19)(H,17,18,20).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 153384900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).