5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C58H77N9O6 — CID 161159528

IUPAC5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(O)CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(N4CCOCC4)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C29H37N5O3.C29H40N4O3/c1-28(2)9-5-20(6-10-28)24-17-21(3-4-25(24)33-27(35)26-31-19-22(18-30)32-26)29(36)11-7-23(8-12-29)34-13-15-37-16-14-34;1-20-19-30-26(31-20)27(34)32-25-5-4-22(18-24(25)21-6-10-28(2,3)11-7-21)29(35)12-8-23(9-13-29)33-14-16-36-17-15-33/h3-5,17,19,23,36H,6-16H2,1-2H3,(H,31,32)(H,33,35);4-6,18-19,23,35H,7-17H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyUPSYRLJNWYWMAU-UHFFFAOYSA-N
MW996.31 g/mol
LogP9.62
Rot. Bonds10

About 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 161159528) has the molecular formula C58H77N9O6 and a molecular weight of 996.31 g/mol. Its IUPAC name is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID161159528
Molecular FormulaC58H77N9O6
Molecular Weight996.31 g/mol
Exact Mass995.60
IUPAC Name5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCC1(C)CC=C(c2cc(C3(O)CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(N4CCOCC4)CC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C29H37N5O3.C29H40N4O3/c1-28(2)9-5-20(6-10-28)24-17-21(3-4-25(24)33-27(35)26-31-19-22(18-30)32-26)29(36)11-7-23(8-12-29)34-13-15-37-16-14-34;1-20-19-30-26(31-20)27(34)32-25-5-4-22(18-24(25)21-6-10-28(2,3)11-7-21)29(35)12-8-23(9-13-29)33-14-16-36-17-15-33/h3-5,17,19,23,36H,6-16H2,1-2H3,(H,31,32)(H,33,35);4-6,18-19,23,35H,7-17H2,1-3H3,(H,30,31)(H,32,34)
InChIKeyUPSYRLJNWYWMAU-UHFFFAOYSA-N
XLogP9.62
TPSA204.75 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500996.31
LogP ≤ 59.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

5-cyano-N-[4-[2-[2-(dimethylamino)ethoxy]propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
CID 16755735
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxyethyl)phenyl]-1H-imidazole-2-carboxamide
CID 24758274
4-Cyano-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-4-(1-hydroxy-1-methyl-ethyl)phenyl]-amide
CID 24759282
4-Cyano-1H-imidazole-2-carboxylic acid {2-(4,4-dimethyl-cyclohex-1-enyl)-4-[1-methyl-1-(2-morpholin-4-yl-ethoxy)-ethyl]-phenyl}-amide
CID 24875263
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-pyrrolidin-1-ylethoxy)propan-2-yl]phenyl]-1H-imidazole-2-carboxamide
CID 24875264
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide
CID 16755727
5-cyano-N-[4-[4-[2-(dimethylamino)ethoxy]oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1H-imidazole-2-carboxamide
CID 16755741
4-cyano-1H-imidazole-2-carboxylic acid [4-(1-acetyl-4-hydroxy-piperidin-4-yl)-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide
CID 24874777
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R)-3-hydroxy-1,5-bis(methoxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 57666496
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1S,5R,6S,7R)-3,6,7-trihydroxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 57666510
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[(1R,5S)-3-hydroxy-1,5-bis(hydroxymethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]phenyl]-1H-imidazole-2-carboxamide
CID 57666566
5-Cyano-1H-imidazole-2-carboxylic acid [2-(4,4-dimethyl-cyclohex-1-enyl)-4-(4-hydroxy-tetrahydro-pyran-4-yl)-phenyl]-amide
CID 59128573

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 161159528) is 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is CC1(C)CC=C(c2cc(C3(O)CCC(N4CCOCC4)CC3)ccc2NC(=O)c2ncc(C#N)[nH]2)CC1.Cc1cnc(C(=O)Nc2ccc(C3(O)CCC(N4CCOCC4)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is UPSYRLJNWYWMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3.C29H40N4O3/c1-28(2)9-5-20(6-10-28)24-17-21(3-4-25(24)33-27(35)26-31-19-22(18-30)32-26)29(36)11-7-23(8-12-29)34-13-15-37-16-14-34;1-20-19-30-26(31-20)27(34)32-25-5-4-22(18-24(25)21-6-10-28(2,3)11-7-21)29(35)12-8-23(9-13-29)33-14-16-36-17-15-33/h3-5,17,19,23,36H,6-16H2,1-2H3,(H,31,32)(H,33,35);4-6,18-19,23,35H,7-17H2,1-3H3,(H,30,31)(H,32,34).
What are the key properties of 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 996.31 g/mol, XLogP of 9.62, 10 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(1-hydroxy-4-morpholin-4-ylcyclohexyl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 161159528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).