N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate

C124H136N16O19S — CID 158050457

IUPACN-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate
SMILESC#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)OC)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(N)=O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCS(=O)(=O)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C27H31N3O4.C26H29N3O4.C24H26N4O3.C24H25N3O4.C23H25N3O4S/c1-5-20-17-28-23(29-20)24(31)30-22-7-6-19(27(25(32)33-4)12-14-34-15-13-27)16-21(22)18-8-10-26(2,3)11-9-18;1-4-19-16-27-22(28-19)23(30)29-21-6-5-18(26(24(31)32)11-13-33-14-12-26)15-20(21)17-7-9-25(2,3)10-8-17;1-2-18-15-26-21(27-18)22(29)28-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(23(25)30)10-12-31-13-11-24;1-2-18-15-25-21(26-18)22(28)27-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(23(29)30)10-12-31-13-11-24;1-2-18-15-24-21(25-18)22(27)26-20-9-8-17(14-19(20)16-6-4-3-5-7-16)23(28)10-12-31(29,30)13-11-23/h1,6-8,16-17H,9-15H2,2-4H3,(H,28,29)(H,30,31);1,5-7,15-16H,8-14H2,2-3H3,(H,27,28)(H,29,30)(H,31,32);1,6,8-9,14-15H,3-5,7,10-13H2,(H2,25,30)(H,26,27)(H,28,29);1,6,8-9,14-15H,3-5,7,10-13H2,(H,25,26)(H,27,28)(H,29,30);1,6,8-9,14-15,28H,3-5,7,10-13H2,(H,24,25)(H,26,27)
InChIKeyFJKLSRAKYQNWAX-UHFFFAOYSA-N
MW2186.61 g/mol
LogP18.69
Rot. Bonds24

About N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate

N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate (PubChem CID 158050457) has the molecular formula C124H136N16O19S and a molecular weight of 2186.61 g/mol. Its IUPAC name is N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate.

Molecular Properties

Compound NameN-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate
PubChem CID158050457
Molecular FormulaC124H136N16O19S
Molecular Weight2186.61 g/mol
Exact Mass2184.99
IUPAC NameN-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate
SMILESC#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)OC)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(N)=O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCS(=O)(=O)CC3)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C27H31N3O4.C26H29N3O4.C24H26N4O3.C24H25N3O4.C23H25N3O4S/c1-5-20-17-28-23(29-20)24(31)30-22-7-6-19(27(25(32)33-4)12-14-34-15-13-27)16-21(22)18-8-10-26(2,3)11-9-18;1-4-19-16-27-22(28-19)23(30)29-21-6-5-18(26(24(31)32)11-13-33-14-12-26)15-20(21)17-7-9-25(2,3)10-8-17;1-2-18-15-26-21(27-18)22(29)28-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(23(25)30)10-12-31-13-11-24;1-2-18-15-25-21(26-18)22(28)27-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(23(29)30)10-12-31-13-11-24;1-2-18-15-24-21(25-18)22(27)26-20-9-8-17(14-19(20)16-6-4-3-5-7-16)23(28)10-12-31(29,30)13-11-23/h1,6-8,16-17H,9-15H2,2-4H3,(H,28,29)(H,30,31);1,5-7,15-16H,8-14H2,2-3H3,(H,27,28)(H,29,30)(H,31,32);1,6,8-9,14-15H,3-5,7,10-13H2,(H2,25,30)(H,26,27)(H,28,29);1,6,8-9,14-15H,3-5,7,10-13H2,(H,25,26)(H,27,28)(H,29,30);1,6,8-9,14-15,28H,3-5,7,10-13H2,(H,24,25)(H,26,27)
InChIKeyFJKLSRAKYQNWAX-UHFFFAOYSA-N
XLogP18.69
TPSA524.18 Ų
H-Bond Donors14
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002186.61
LogP ≤ 518.69
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N-[4-(1-acetyl-4-aminopiperidin-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;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-(hydroxymethyl)oxan-4-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-[(2S,6R)-4-hydroxy-2,6-dimethyloxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 157681523
2-[4-[4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxan-4-yl]piperazin-1-yl]acetic acid;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-piperazin-1-yloxan-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
CID 158238341
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
N-[4-(1-acetyl-4-aminopiperidin-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 160726041
2-[4-(1-acetyl-4-aminopiperidin-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(4-hydroxythian-4-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]oxane-4-carboxylate
CID 161230004
N-[2-(cyclohexen-1-yl)-4-[4-(dimethylcarbamoyl)oxan-4-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-[4-[4-(dimethylcarbamoyl)oxan-4-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(hydroxymethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[4-(morpholin-4-ylmethyl)oxan-4-yl]phenyl]-5-ethynyl-1H-imidazole-2-carboxamide
CID 162167188

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate?
The IUPAC name of N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate (CID 158050457) is N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate.
What is the SMILES notation for N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate?
The canonical SMILES for N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate is C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(=O)OC)CCOCC3)cc2C2=CCC(C)(C)CC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(C(N)=O)CCOCC3)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Nc2ccc(C3(O)CCS(=O)(=O)CC3)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate?
The InChIKey is FJKLSRAKYQNWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4.C26H29N3O4.C24H26N4O3.C24H25N3O4.C23H25N3O4S/c1-5-20-17-28-23(29-20)24(31)30-22-7-6-19(27(25(32)33-4)12-14-34-15-13-27)16-21(22)18-8-10-26(2,3)11-9-18;1-4-19-16-27-22(28-19)23(30)29-21-6-5-18(26(24(31)32)11-13-33-14-12-26)15-20(21)17-7-9-25(2,3)10-8-17;1-2-18-15-26-21(27-18)22(29)28-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(23(25)30)10-12-31-13-11-24;1-2-18-15-25-21(26-18)22(28)27-20-9-8-17(14-19(20)16-6-4-3-5-7-16)24(23(29)30)10-12-31-13-11-24;1-2-18-15-24-21(25-18)22(27)26-20-9-8-17(14-19(20)16-6-4-3-5-7-16)23(28)10-12-31(29,30)13-11-23/h1,6-8,16-17H,9-15H2,2-4H3,(H,28,29)(H,30,31);1,5-7,15-16H,8-14H2,2-3H3,(H,27,28)(H,29,30)(H,31,32);1,6,8-9,14-15H,3-5,7,10-13H2,(H2,25,30)(H,26,27)(H,28,29);1,6,8-9,14-15H,3-5,7,10-13H2,(H,25,26)(H,27,28)(H,29,30);1,6,8-9,14-15,28H,3-5,7,10-13H2,(H,24,25)(H,26,27).
What are the key properties of N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate?
N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate has a molecular weight of 2186.61 g/mol, XLogP of 18.69, 24 rotatable bonds, 14 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-carbamoyloxan-4-yl)-2-(cyclohexen-1-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(cyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;N-[2-(cyclohexen-1-yl)-4-(4-hydroxy-1,1-dioxothian-4-yl)phenyl]-5-ethynyl-1H-imidazole-2-carboxamide;4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylic acid;methyl 4-[3-(4,4-dimethylcyclohexen-1-yl)-4-[(5-ethynyl-1H-imidazole-2-carbonyl)amino]phenyl]oxane-4-carboxylate is sourced from PubChem (CID 158050457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).