5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide

C23H23N5O3 — CID 25104233

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCN1C(=O)CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1=O
InChIInChI=1S/C23H23N5O3/c1-28-20(29)10-16(11-21(28)30)15-7-8-19(18(9-15)14-5-3-2-4-6-14)27-23(31)22-25-13-17(12-24)26-22/h5,7-9,13,16H,2-4,6,10-11H2,1H3,(H,25,26)(H,27,31)
InChIKeyZJESLKXOBQREAT-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.35
Rot. Bonds4

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide (PubChem CID 25104233) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
PubChem CID25104233
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide
SMILESCN1C(=O)CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1=O
InChIInChI=1S/C23H23N5O3/c1-28-20(29)10-16(11-21(28)30)15-7-8-19(18(9-15)14-5-3-2-4-6-14)27-23(31)22-25-13-17(12-24)26-22/h5,7-9,13,16H,2-4,6,10-11H2,1H3,(H,25,26)(H,27,31)
InChIKeyZJESLKXOBQREAT-UHFFFAOYSA-N
XLogP3.35
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.35
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 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide (CID 25104233) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide is CN1C(=O)CC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1=O.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
The InChIKey is ZJESLKXOBQREAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-28-20(29)10-16(11-21(28)30)15-7-8-19(18(9-15)14-5-3-2-4-6-14)27-23(31)22-25-13-17(12-24)26-22/h5,7-9,13,16H,2-4,6,10-11H2,1H3,(H,25,26)(H,27,31).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 25104233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).