2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide

C17H11Br2N5O5 — CID 177187881

IUPAC2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)c4nc(Br)[nH]c4Br)cc3C2=O)C(=O)N1
InChIInChI=1S/C17H11Br2N5O5/c18-12-11(22-17(19)23-12)14(27)20-6-1-2-7-8(5-6)16(29)24(15(7)28)9-3-4-10(25)21-13(9)26/h1-2,5,9H,3-4H2,(H,20,27)(H,22,23)(H,21,25,26)
InChIKeyYIUMQSUOLJLCEH-UHFFFAOYSA-N
MW525.11 g/mol
LogP1.59
Rot. Bonds3

About 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide

2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide (PubChem CID 177187881) has the molecular formula C17H11Br2N5O5 and a molecular weight of 525.11 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide
PubChem CID177187881
Molecular FormulaC17H11Br2N5O5
Molecular Weight525.11 g/mol
Exact Mass522.91
IUPAC Name2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide
SMILESO=C1CCC(N2C(=O)c3ccc(NC(=O)c4nc(Br)[nH]c4Br)cc3C2=O)C(=O)N1
InChIInChI=1S/C17H11Br2N5O5/c18-12-11(22-17(19)23-12)14(27)20-6-1-2-7-8(5-6)16(29)24(15(7)28)9-3-4-10(25)21-13(9)26/h1-2,5,9H,3-4H2,(H,20,27)(H,22,23)(H,21,25,26)
InChIKeyYIUMQSUOLJLCEH-UHFFFAOYSA-N
XLogP1.59
TPSA141.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.11
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]prop-2-enamide
CID 121448709
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]butanamide
CID 163906697
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CID 159636176
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 167857754
2-(2,6-dioxopiperidin-3-yl)-5-(methylamino)isoindole-1,3-dione;ethane
CID 166535785
methyl 4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]carbamoyl]cubane-1-carboxylate
CID 171393695
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-4-(piperazin-1-ylmethyl)benzamide
CID 170980218
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methyl-2-thiophen-2-ylpropanamide
CID 166426864
3-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]-2-oxoethoxy]propanoic acid
CID 166994465
2-(2-chlorophenyl)-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-2-methylpropanamide
CID 166426870
3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 175333441
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
CID 175943061

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide?
The IUPAC name of 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide (CID 177187881) is 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide is O=C1CCC(N2C(=O)c3ccc(NC(=O)c4nc(Br)[nH]c4Br)cc3C2=O)C(=O)N1.
What is the InChIKey of 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide?
The InChIKey is YIUMQSUOLJLCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Br2N5O5/c18-12-11(22-17(19)23-12)14(27)20-6-1-2-7-8(5-6)16(29)24(15(7)28)9-3-4-10(25)21-13(9)26/h1-2,5,9H,3-4H2,(H,20,27)(H,22,23)(H,21,25,26).
What are the key properties of 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide?
2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide has a molecular weight of 525.11 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1H-imidazole-4-carboxamide is sourced from PubChem (CID 177187881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).