N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide

C69H73N13O8 — CID 159796068

IUPACN-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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.Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H26N4O3.C23H22N4O3.C21H25N5O2/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;1-13-10-22-19(25-13)20(27)26-18-8-7-15(16-11-23-21(28)24-12-16)9-17(18)14-5-3-2-4-6-14/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);5,7-10,16H,2-4,6,11-12H2,1H3,(H,22,25)(H,26,27)(H2,23,24,28)
InChIKeyNJEORNYMKXNEPQ-UHFFFAOYSA-N
MW1212.43 g/mol
LogP10.20
Rot. Bonds12

About N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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 159796068) has the molecular formula C69H73N13O8 and a molecular weight of 1212.43 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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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 CID159796068
Molecular FormulaC69H73N13O8
Molecular Weight1212.43 g/mol
Exact Mass1211.57
IUPAC NameN-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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.Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H26N4O3.C23H22N4O3.C21H25N5O2/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;1-13-10-22-19(25-13)20(27)26-18-8-7-15(16-11-23-21(28)24-12-16)9-17(18)14-5-3-2-4-6-14/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);5,7-10,16H,2-4,6,11-12H2,1H3,(H,22,25)(H,26,27)(H2,23,24,28)
InChIKeyNJEORNYMKXNEPQ-UHFFFAOYSA-N
XLogP10.20
TPSA306.81 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001212.43
LogP ≤ 510.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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

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Bombesin(6-14), Tpi(6)-Leu(13)-psi(CH2N)-Tpi(14)-
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(2S,5R,8S,11S,14S,23S)-23-[[(2S)-2-[[2-(1-adamantyl)acetyl]amino]hexanoyl]amino]-5-benzyl-8-[3-(diaminomethylideneamino)propyl]-2-(1H-imidazol-5-ylmethyl)-11-(1H-indol-3-ylmethyl)-3,6,9,12,20,24-hexaoxo-1,4,7,10,13,19-hexazacyclotetracosane-14-carboxamide
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4-[5-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-2-yl]-1-[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]piperazin-2-one
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N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 59771140
N-[2-(cyclohexen-1-yl)-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
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N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
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methyl N-[(2S)-1-[(2S)-2-[5-[3-(4-tert-butylphenyl)-4-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67989607
methyl (3S)-4-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-3-[5-[4-[6-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinolin-2-yl]phenyl]-1H-imidazol-2-yl]piperazine-1-carboxylate
CID 70650481
methyl 4-[2-(methoxycarbonylamino)-3-methylbutanoyl]-3-[5-[4-[6-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinolin-2-yl]phenyl]-1H-imidazol-2-yl]piperazine-1-carboxylate
CID 76189409
methyl N-[1-[2-[5-[3-(4-tert-butylphenyl)-4-[4-[[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 76555297

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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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 159796068) is N-[2-(cyclohexen-1-yl)-4-(2,6-dioxopiperidin-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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.Cc1cnc(C(=O)Nc2ccc(C3CNC(=O)NC3)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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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 NJEORNYMKXNEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3.C23H22N4O3.C21H25N5O2/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;1-13-10-22-19(25-13)20(27)26-18-8-7-15(16-11-23-21(28)24-12-16)9-17(18)14-5-3-2-4-6-14/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);5,7-10,16H,2-4,6,11-12H2,1H3,(H,22,25)(H,26,27)(H2,23,24,28).
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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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 1212.43 g/mol, XLogP of 10.20, 12 rotatable bonds, 10 hydrogen bond donors, and 11 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-(cyclohexen-1-yl)-4-(2-oxo-1,3-diazinan-5-yl)phenyl]-5-methyl-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 159796068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).