3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

C163H181N23O16S — CID 159014011

IUPAC3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
SMILESC#Cc1cnc(C(=O)Cc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H30N4O3.C24H26N4O3.C24H27N3O2.C23H26N4O2.C23H27N3O3S.C22H23N3O2.C22H22N2O/c1-4-20-16-27-23(28-20)22(31)14-18-10-11-19(15-21(18)17-8-6-5-7-9-17)25(2,3)29-24(32)26-12-13-30;1-4-18-14-26-22(27-18)20(29)12-16-10-11-17(24(2,3)28-23(31)21(25)30)13-19(16)15-8-6-5-7-9-15;1-5-20-15-25-23(26-20)22(29)13-18-11-12-19(24(3,4)27-16(2)28)14-21(18)17-9-7-6-8-10-17;1-4-18-14-25-21(26-18)20(28)12-16-10-11-17(23(2,3)27-22(24)29)13-19(16)15-8-6-5-7-9-15;1-5-19-15-24-22(25-19)21(27)13-17-11-12-18(23(2,3)26-30(4,28)29)14-20(17)16-9-7-6-8-10-16;1-2-18-14-24-22(25-18)20(26)13-17-10-8-15(9-11-21(23)27)12-19(17)16-6-4-3-5-7-16;1-4-19-14-23-22(24-19)21(25)13-18-11-10-17(15(2)3)12-20(18)16-8-6-5-7-9-16/h1,8,10-11,15-16,30H,5-7,9,12-14H2,2-3H3,(H,27,28)(H2,26,29,32);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H2,25,30)(H,26,27)(H,28,31);1,9,11-12,14-15H,6-8,10,13H2,2-4H3,(H,25,26)(H,27,28);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H,25,26)(H3,24,27,29);1,9,11-12,14-15,26H,6-8,10,13H2,2-4H3,(H,24,25);1,6,8,10,12,14H,3-5,7,9,11,13H2,(H2,23,27)(H,24,25);1,8,10-12,14H,2,5-7,9,13H2,3H3,(H,23,24)
InChIKeyJSVYHYUNWHVPPJ-UHFFFAOYSA-N
MW2750.45 g/mol
LogP25.29
Rot. Bonds45

About 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone

3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (PubChem CID 159014011) has the molecular formula C163H181N23O16S and a molecular weight of 2750.45 g/mol. Its IUPAC name is 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.

Molecular Properties

Compound Name3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
PubChem CID159014011
Molecular FormulaC163H181N23O16S
Molecular Weight2750.45 g/mol
Exact Mass2748.38
IUPAC Name3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone
SMILESC#Cc1cnc(C(=O)Cc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C25H30N4O3.C24H26N4O3.C24H27N3O2.C23H26N4O2.C23H27N3O3S.C22H23N3O2.C22H22N2O/c1-4-20-16-27-23(28-20)22(31)14-18-10-11-19(15-21(18)17-8-6-5-7-9-17)25(2,3)29-24(32)26-12-13-30;1-4-18-14-26-22(27-18)20(29)12-16-10-11-17(24(2,3)28-23(31)21(25)30)13-19(16)15-8-6-5-7-9-15;1-5-20-15-25-23(26-20)22(29)13-18-11-12-19(24(3,4)27-16(2)28)14-21(18)17-9-7-6-8-10-17;1-4-18-14-25-21(26-18)20(28)12-16-10-11-17(23(2,3)27-22(24)29)13-19(16)15-8-6-5-7-9-15;1-5-19-15-24-22(25-19)21(27)13-17-11-12-18(23(2,3)26-30(4,28)29)14-20(17)16-9-7-6-8-10-16;1-2-18-14-24-22(25-18)20(26)13-17-10-8-15(9-11-21(23)27)12-19(17)16-6-4-3-5-7-16;1-4-19-14-23-22(24-19)21(25)13-18-11-10-17(15(2)3)12-20(18)16-8-6-5-7-9-16/h1,8,10-11,15-16,30H,5-7,9,12-14H2,2-3H3,(H,27,28)(H2,26,29,32);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H2,25,30)(H,26,27)(H,28,31);1,9,11-12,14-15H,6-8,10,13H2,2-4H3,(H,25,26)(H,27,28);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H,25,26)(H3,24,27,29);1,9,11-12,14-15,26H,6-8,10,13H2,2-4H3,(H,24,25);1,6,8,10,12,14H,3-5,7,9,11,13H2,(H2,23,27)(H,24,25);1,8,10-12,14H,2,5-7,9,13H2,3H3,(H,23,24)
InChIKeyJSVYHYUNWHVPPJ-UHFFFAOYSA-N
XLogP25.29
TPSA627.28 Ų
H-Bond Donors17
H-Bond Acceptors23
Rotatable Bonds45
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002750.45
LogP ≤ 525.29
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

sodium;2-[2-(cyclohexen-1-yl)-4-[3-(2-methoxyethylamino)prop-1-en-2-yl]phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(cyclohexen-1-yl)-4-(3-morpholin-4-ylprop-1-en-2-yl)phenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(2-hydroxyethylamino)propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;2-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-[4-(2-oxoethyl)piperazin-1-yl]propan-2-yl]phenyl]-1-(5-methyl-1H-imidazol-2-yl)ethanone;bis(2,2,2-trifluoroacetaldehyde);hydroxide;hydrochloride
CID 158348413
N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-(methanesulfonamido)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 68046352
N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 68046353
N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 68046355
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-pyrrolidin-1-ylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 68046356
N-[(1R)-2-oxo-1-phenyl-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 68046358
N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-morpholin-4-yl-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 68046359
(3R)-N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2S)-2-aminobutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 70648704
(3R)-N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 70649794
(3S)-N-[(1R)-2-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 70877715
N-[2-[2-[5-[4-[2-[4-[2-[1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]methanesulfonamide
CID 77400489
N-[2-oxo-1-phenyl-2-[2-[5-[4-[2-[4-[2-[1-(2-phenyl-2-pyrrolidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 77400492

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?
The IUPAC name of 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone (CID 159014011) is 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone.
What is the SMILES notation for 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?
The canonical SMILES for 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is C#Cc1cnc(C(=O)Cc2ccc(C(=C)C)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)C(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(=O)NCCO)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(C)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NC(N)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(C(C)(C)NS(C)(=O)=O)cc2C2=CCCCC2)[nH]1.C#Cc1cnc(C(=O)Cc2ccc(CCC(N)=O)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?
The InChIKey is JSVYHYUNWHVPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.C24H26N4O3.C24H27N3O2.C23H26N4O2.C23H27N3O3S.C22H23N3O2.C22H22N2O/c1-4-20-16-27-23(28-20)22(31)14-18-10-11-19(15-21(18)17-8-6-5-7-9-17)25(2,3)29-24(32)26-12-13-30;1-4-18-14-26-22(27-18)20(29)12-16-10-11-17(24(2,3)28-23(31)21(25)30)13-19(16)15-8-6-5-7-9-15;1-5-20-15-25-23(26-20)22(29)13-18-11-12-19(24(3,4)27-16(2)28)14-21(18)17-9-7-6-8-10-17;1-4-18-14-25-21(26-18)20(28)12-16-10-11-17(23(2,3)27-22(24)29)13-19(16)15-8-6-5-7-9-15;1-5-19-15-24-22(25-19)21(27)13-17-11-12-18(23(2,3)26-30(4,28)29)14-20(17)16-9-7-6-8-10-16;1-2-18-14-24-22(25-18)20(26)13-17-10-8-15(9-11-21(23)27)12-19(17)16-6-4-3-5-7-16;1-4-19-14-23-22(24-19)21(25)13-18-11-10-17(15(2)3)12-20(18)16-8-6-5-7-9-16/h1,8,10-11,15-16,30H,5-7,9,12-14H2,2-3H3,(H,27,28)(H2,26,29,32);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H2,25,30)(H,26,27)(H,28,31);1,9,11-12,14-15H,6-8,10,13H2,2-4H3,(H,25,26)(H,27,28);1,8,10-11,13-14H,5-7,9,12H2,2-3H3,(H,25,26)(H3,24,27,29);1,9,11-12,14-15,26H,6-8,10,13H2,2-4H3,(H,24,25);1,6,8,10,12,14H,3-5,7,9,11,13H2,(H2,23,27)(H,24,25);1,8,10-12,14H,2,5-7,9,13H2,3H3,(H,23,24).
What are the key properties of 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone?
3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone has a molecular weight of 2750.45 g/mol, XLogP of 25.29, 45 rotatable bonds, 17 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propanamide;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]acetamide;1-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]-3-(2-hydroxyethyl)urea;N-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]methanesulfonamide;N'-[2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-yl]oxamide;2-[3-(cyclohexen-1-yl)-4-[2-(5-ethynyl-1H-imidazol-2-yl)-2-oxoethyl]phenyl]propan-2-ylurea;2-[2-(cyclohexen-1-yl)-4-prop-1-en-2-ylphenyl]-1-(5-ethynyl-1H-imidazol-2-yl)ethanone is sourced from PubChem (CID 159014011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).