2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide

C19H18N6O5 — CID 175911905

IUPAC2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cnc(CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C19H18N6O5/c20-15(26)8-24-7-11(22-9-24)6-21-10-1-2-12-13(5-10)19(30)25(18(12)29)14-3-4-16(27)23-17(14)28/h1-2,5,7,9,14,21H,3-4,6,8H2,(H2,20,26)(H,23,27,28)
InChIKeyTVJMMDYYVGWZHK-UHFFFAOYSA-N
MW410.39 g/mol
LogP-0.62
Rot. Bonds6

About 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide

2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide (PubChem CID 175911905) has the molecular formula C19H18N6O5 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide
PubChem CID175911905
Molecular FormulaC19H18N6O5
Molecular Weight410.39 g/mol
Exact Mass410.13
IUPAC Name2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cnc(CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1
InChIInChI=1S/C19H18N6O5/c20-15(26)8-24-7-11(22-9-24)6-21-10-1-2-12-13(5-10)19(30)25(18(12)29)14-3-4-16(27)23-17(14)28/h1-2,5,7,9,14,21H,3-4,6,8H2,(H2,20,26)(H,23,27,28)
InChIKeyTVJMMDYYVGWZHK-UHFFFAOYSA-N
XLogP-0.62
TPSA156.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[[1-(4-aminobutyl)imidazol-4-yl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 177044252
2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]imidazol-1-yl]acetamide
CID 175911899
7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]heptanamide
CID 175446333
2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]propanamide
CID 175271647
5-(3-aminopropylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 150134441
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]decyl carbamate
CID 175555570
5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]pentyl carbamate
CID 175555564
5-(9-aminononylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162482502
5-(14-aminotetradecylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 169450048
5-(5-aminopentylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 138562610
2-(2,6-dioxopiperidin-3-yl)-5-[(2-oxo-2-piperidin-1-ylethyl)amino]isoindole-1,3-dione
CID 175943061
3-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]cyclobutane-1-carboxylic acid
CID 175333441

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide (CID 175911905) is 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide is NC(=O)Cn1cnc(CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)c1.
What is the InChIKey of 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide?
The InChIKey is TVJMMDYYVGWZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O5/c20-15(26)8-24-7-11(22-9-24)6-21-10-1-2-12-13(5-10)19(30)25(18(12)29)14-3-4-16(27)23-17(14)28/h1-2,5,7,9,14,21H,3-4,6,8H2,(H2,20,26)(H,23,27,28).
What are the key properties of 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide?
2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide has a molecular weight of 410.39 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]methyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 175911905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).