N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C82H107F6N11O7 — CID 91089987

IUPACN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C30H41F3N4O2.C26H33F3N4O2.C26H33N3O3/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29;1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29;1-16-15-27-23(28-16)24(30)29-22-7-4-18(26(31)13-19-5-6-20(14-26)32-19)12-21(22)17-8-10-25(2,3)11-9-17/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38);4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34);4,7-8,12,15,19-20,31H,5-6,9-11,13-14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyPFBWOQJJMQRVQG-UHFFFAOYSA-N
MW1472.82 g/mol
LogP17.47
Rot. Bonds14

About N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91089987) has the molecular formula C82H107F6N11O7 and a molecular weight of 1472.82 g/mol. Its IUPAC name is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91089987
Molecular FormulaC82H107F6N11O7
Molecular Weight1472.82 g/mol
Exact Mass1471.83
IUPAC NameN-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C30H41F3N4O2.C26H33F3N4O2.C26H33N3O3/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29;1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29;1-16-15-27-23(28-16)24(30)29-22-7-4-18(26(31)13-19-5-6-20(14-26)32-19)12-21(22)17-8-10-25(2,3)11-9-17/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38);4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34);4,7-8,12,15,19-20,31H,5-6,9-11,13-14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyPFBWOQJJMQRVQG-UHFFFAOYSA-N
XLogP17.47
TPSA249.74 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001472.82
LogP ≤ 517.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Analyze N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-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-(3-hydroxy-8-oxa-bicyclo[3.2.1]oct-3-yl)-phenyl]-amide
CID 58994975
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994954
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994955
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-isocyano-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 159192337
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,4S,5S)-3-hydroxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 57666520
methyl (1R,5S)-3-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-3-hydroxy-1,5-dimethyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 57666522
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994948
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 58994959
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,4S,5R)-3-hydroxy-2,4-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 71017925
N-[4-(1-acetyl-4-hydroxypiperidin-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxyoxan-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2R,6S)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 90812535
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-morpholin-4-ylethoxy)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91110460
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(2S,6R)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 91145570

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 91089987) is N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C3(O)CC(C)(C)N(CC(F)(F)F)C(C)(C)C3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CC4CCC(C3)O4)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCN(CC(F)(F)F)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is PFBWOQJJMQRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F3N4O2.C26H33F3N4O2.C26H33N3O3/c1-19-15-34-24(35-19)25(38)36-23-9-8-21(14-22(23)20-10-12-26(2,3)13-11-20)29(39)16-27(4,5)37(18-30(31,32)33)28(6,7)17-29;1-17-15-30-22(31-17)23(34)32-21-5-4-19(14-20(21)18-6-8-24(2,3)9-7-18)25(35)10-12-33(13-11-25)16-26(27,28)29;1-16-15-27-23(28-16)24(30)29-22-7-4-18(26(31)13-19-5-6-20(14-26)32-19)12-21(22)17-8-10-25(2,3)11-9-17/h8-10,14-15,39H,11-13,16-18H2,1-7H3,(H,34,35)(H,36,38);4-6,14-15,35H,7-13,16H2,1-3H3,(H,30,31)(H,32,34);4,7-8,12,15,19-20,31H,5-6,9-11,13-14H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?
N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 1472.82 g/mol, XLogP of 17.47, 14 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-2,2,6,6-tetramethyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-hydroxy-1-(2,2,2-trifluoroethyl)piperidin-4-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91089987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).