N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C48H48N8O6 — CID 90802881

IUPACN-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
SMILESC#Cc1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H26N4O3.C23H22N4O3/c1-4-18-14-26-23(27-18)24(32)28-20-6-5-16(17-12-21(30)29-22(31)13-17)11-19(20)15-7-9-25(2,3)10-8-15;1-2-17-13-24-22(25-17)23(30)26-19-9-8-15(16-11-20(28)27-21(29)12-16)10-18(19)14-6-4-3-5-7-14/h1,5-7,11,14,17H,8-10,12-13H2,2-3H3,(H,26,27)(H,28,32)(H,29,30,31);1,6,8-10,13,16H,3-5,7,11-12H2,(H,24,25)(H,26,30)(H,27,28,29)
InChIKeyUAEMKXGKJDZRMU-UHFFFAOYSA-N
MW832.96 g/mol
LogP6.88
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (PubChem CID 90802881) has the molecular formula C48H48N8O6 and a molecular weight of 832.96 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
PubChem CID90802881
Molecular FormulaC48H48N8O6
Molecular Weight832.96 g/mol
Exact Mass832.37
IUPAC NameN-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
SMILESC#Cc1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H26N4O3.C23H22N4O3/c1-4-18-14-26-23(27-18)24(32)28-20-6-5-16(17-12-21(30)29-22(31)13-17)11-19(20)15-7-9-25(2,3)10-8-15;1-2-17-13-24-22(25-17)23(30)26-19-9-8-15(16-11-20(28)27-21(29)12-16)10-18(19)14-6-4-3-5-7-14/h1,5-7,11,14,17H,8-10,12-13H2,2-3H3,(H,26,27)(H,28,32)(H,29,30,31);1,6,8-10,13,16H,3-5,7,11-12H2,(H,24,25)(H,26,30)(H,27,28,29)
InChIKeyUAEMKXGKJDZRMU-UHFFFAOYSA-N
XLogP6.88
TPSA207.90 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 56.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783358
4-cyano-N-(2-cyclohexenyl-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24785380
4-cyano-N-(2-cyclohexenyl-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 25104233
5-cyano-N-[2-(cyclohexen-1-yl)-4-[1-(2-pyridin-4-ylacetyl)piperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide
CID 11627368
5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2R,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
CID 158729051
5-chloro-N-[2-(cyclohexen-1-yl)-4-[(2S,6R)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;5-cyano-N-[2-(cyclohexen-1-yl)-4-[(2S,6S)-2,6-dimethylpiperidin-4-yl]phenyl]-1H-imidazole-2-carboxamide;bis(1,1,1,4,4,4-hexafluorobutane-2,3-dione)
CID 160770800
6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 18715602
4-Cyano-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-4-(4-oxo-cyclohexyl)-phenyl]-amide
CID 24826536
(2R)-1-[4-acetyl-2-[5-[4-[4-[2-[4-acetyl-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]piperazin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]piperazin-1-yl]-2-(dimethylamino)-2-phenylethanone
CID 46215917
N-[4-(1-cyanocyclohexyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58993715
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-oxocyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993725
N-[4-[4-(diethylamino)cyclohexyl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58993727

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide (CID 90802881) is N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is C#Cc1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3CC(=O)NC(=O)C3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?
The InChIKey is UAEMKXGKJDZRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C23H22N4O3/c1-4-18-14-26-23(27-18)24(32)28-20-6-5-16(17-12-21(30)29-22(31)13-17)11-19(20)15-7-9-25(2,3)10-8-15;1-2-17-13-24-22(25-17)23(30)26-19-9-8-15(16-11-20(28)27-21(29)12-16)10-18(19)14-6-4-3-5-7-14/h1,5-7,11,14,17H,8-10,12-13H2,2-3H3,(H,26,27)(H,28,32)(H,29,30,31);1,6,8-10,13,16H,3-5,7,11-12H2,(H,24,25)(H,26,30)(H,27,28,29).
What are the key properties of N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide?
N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide has a molecular weight of 832.96 g/mol, XLogP of 6.88, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 90802881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).