N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide

C23H22N4O3 — CID 60570571

IUPACN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
SMILESCCC1(c2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H22N4O3/c1-2-23(12-11-20(28)26-22(23)30)17-5-7-18(8-6-17)25-21(29)16-3-9-19(10-4-16)27-14-13-24-15-27/h3-10,13-15H,2,11-12H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyHZTDTHRCUKRTMJ-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.21
Rot. Bonds5

About N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide

N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide (PubChem CID 60570571) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
PubChem CID60570571
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC NameN-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide
SMILESCCC1(c2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)CCC(=O)NC1=O
InChIInChI=1S/C23H22N4O3/c1-2-23(12-11-20(28)26-22(23)30)17-5-7-18(8-6-17)25-21(29)16-3-9-19(10-4-16)27-14-13-24-15-27/h3-10,13-15H,2,11-12H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyHZTDTHRCUKRTMJ-UHFFFAOYSA-N
XLogP3.21
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide (CID 60570571) is N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide is CCC1(c2ccc(NC(=O)c3ccc(-n4ccnc4)cc3)cc2)CCC(=O)NC1=O.
What is the InChIKey of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide?
The InChIKey is HZTDTHRCUKRTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-23(12-11-20(28)26-22(23)30)17-5-7-18(8-6-17)25-21(29)16-3-9-19(10-4-16)27-14-13-24-15-27/h3-10,13-15H,2,11-12H2,1H3,(H,25,29)(H,26,28,30).
What are the key properties of N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide?
N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-ethyl-2,6-dioxopiperidin-3-yl)phenyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 60570571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).