2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

C73H97N11O6S2 — CID 91401417

IUPAC2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCSCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H36N4O2S.C26H36N4OS.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-33(32)15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-13-12-22-18(23-13)19(25)24-17-10-9-15(21(2,3)20(26)27)11-16(17)14-7-5-4-6-8-14/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);7,9-12H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)
InChIKeyGRJAPJFGWHQDGS-UHFFFAOYSA-N
MW1288.78 g/mol
LogP15.00
Rot. Bonds15

About 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide

2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 91401417) has the molecular formula C73H97N11O6S2 and a molecular weight of 1288.78 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
PubChem CID91401417
Molecular FormulaC73H97N11O6S2
Molecular Weight1288.78 g/mol
Exact Mass1287.71
IUPAC Name2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCSCC3)cc2C2=CCC(C)(C)CC2)[nH]1
InChIInChI=1S/C26H36N4O2S.C26H36N4OS.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-33(32)15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-13-12-22-18(23-13)19(25)24-17-10-9-15(21(2,3)20(26)27)11-16(17)14-7-5-4-6-8-14/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);7,9-12H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)
InChIKeyGRJAPJFGWHQDGS-UHFFFAOYSA-N
XLogP15.00
TPSA234.19 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001288.78
LogP ≤ 515.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

N-[4-[1-(4-acetylpiperazin-1-yl)-2-methylpropan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylpropan-2-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-methyl-1-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 91002793
3-[4-[(5-acetyl-1H-imidazole-2-carbonyl)amino]-3-(cyclohexen-1-yl)phenyl]propanoic acid;N-[4-(3-amino-3-oxopropyl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;3-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]propanoic acid
CID 91088479
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
2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 91243521
2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-methylsulfanylethylamino)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide
CID 160508831

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The IUPAC name of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 91401417) is 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide.
What is the SMILES notation for 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The canonical SMILES for 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2C2=CCCCC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCS(=O)CC3)cc2C2=CCC(C)(C)CC2)[nH]1.Cc1cnc(C(=O)Nc2ccc(C(C)(C)N3CCSCC3)cc2C2=CCC(C)(C)CC2)[nH]1.
What is the InChIKey of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
The InChIKey is GRJAPJFGWHQDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2S.C26H36N4OS.C21H25N3O3/c1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-33(32)15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-18-17-27-23(28-18)24(31)29-22-7-6-20(26(4,5)30-12-14-32-15-13-30)16-21(22)19-8-10-25(2,3)11-9-19;1-13-12-22-18(23-13)19(25)24-17-10-9-15(21(2,3)20(26)27)11-16(17)14-7-5-4-6-8-14/h6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);6-8,16-17H,9-15H2,1-5H3,(H,27,28)(H,29,31);7,9-12H,4-6,8H2,1-3H3,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide?
2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 1288.78 g/mol, XLogP of 15.00, 15 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexen-1-yl)-4-[(5-methyl-1H-imidazole-2-carbonyl)amino]phenyl]-2-methylpropanoic acid;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;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(2-thiomorpholin-4-ylpropan-2-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91401417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).