N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C76H110N12O8S2 — CID 91191738

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCOCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N(C)CCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H38N4O3S.C25H36N4O3S.C25H36N4O2/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)30(6)14-15-34(7,32)33)16-21(22)19-10-12-25(2,3)13-11-19;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-33(6,31)32)15-20(21)18-9-11-24(2,3)12-10-18;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-31-6)15-20(21)18-9-11-24(2,3)12-10-18/h8-10,16-17H,11-15H2,1-7H3,(H,27,28)(H,29,31);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30)
InChIKeyLKNKXVSDDNVIGZ-UHFFFAOYSA-N
MW1383.93 g/mol
LogP14.24
Rot. Bonds24

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91191738) has the molecular formula C76H110N12O8S2 and a molecular weight of 1383.93 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91191738
Molecular FormulaC76H110N12O8S2
Molecular Weight1383.93 g/mol
Exact Mass1382.80
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCOCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N(C)CCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H38N4O3S.C25H36N4O3S.C25H36N4O2/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)30(6)14-15-34(7,32)33)16-21(22)19-10-12-25(2,3)13-11-19;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-33(6,31)32)15-20(21)18-9-11-24(2,3)12-10-18;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-31-6)15-20(21)18-9-11-24(2,3)12-10-18/h8-10,16-17H,11-15H2,1-7H3,(H,27,28)(H,29,31);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30)
InChIKeyLKNKXVSDDNVIGZ-UHFFFAOYSA-N
XLogP14.24
TPSA278.15 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001383.93
LogP ≤ 514.24
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

4-Cyano-1H-imidazole-2-carboxylic acid {2-(4,4-dimethyl-cyclohex-1-enyl)-4-[1-(2-methanesulfonyl-ethylamino)-1-methyl-ethyl]-phenyl}-amide
CID 24874845
4-Cyano-1H-imidazole-2-carboxylic acid (2-(4,4-dimethyl-cyclohex-1-enyl)-4-{1-[(2-methanesulfonyl-ethyl)-methyl-amino]-1-methyl-ethyl}-phenyl)-amide
CID 24874846
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methylsulfonylethylamino)cyclohexyl]phenyl]-1H-imidazole-2-carboxamide
CID 24826955
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(2-methoxyethylamino)cyclohexyl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58993713
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994341
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1-oxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994365
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-morpholin-4-ylsulfonylethyl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 58994400
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994410
N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylsulfonylmethyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994442
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994513
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(2-methoxyethylamino)-2,6-dimethyl-1,1-dioxothian-4-yl]phenyl]-5-isocyano-1H-imidazole-2-carboxamide
CID 58995006
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-(4-tert-butylphenyl)-5-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,1-dioxo-1,4-thiazinan-3-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 59617088

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 91191738) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is COCCNC(C)(C)c1ccc(NC(=O)c2ncc(C)[nH]2)c(C2=CCC(C)(C)CC2)c1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N(C)CCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)NCCS(C)(=O)=O)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is LKNKXVSDDNVIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O3S.C25H36N4O3S.C25H36N4O2/c1-18-17-27-23(28-18)24(31)29-22-9-8-20(26(4,5)30(6)14-15-34(7,32)33)16-21(22)19-10-12-25(2,3)13-11-19;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-33(6,31)32)15-20(21)18-9-11-24(2,3)12-10-18;1-17-16-26-22(28-17)23(30)29-21-8-7-19(25(4,5)27-13-14-31-6)15-20(21)18-9-11-24(2,3)12-10-18/h8-10,16-17H,11-15H2,1-7H3,(H,27,28)(H,29,31);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30);7-9,15-16,27H,10-14H2,1-6H3,(H,26,28)(H,29,30).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 1383.93 g/mol, XLogP of 14.24, 24 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methoxyethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[methyl(2-methylsulfonylethyl)amino]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfonylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91191738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).