3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione

C115H109FN18O18S — CID 172953913

IUPAC3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione
SMILESCCOC(=O)CCCCC(=O)c1c(C)n(C(=O)c2ccc(C3C(=O)CCC3=O)cc2)c(=O)n1C(=O)c1ccc(N2C(=O)CCC2=O)cc1.Cc1cc(=O)[nH]c(N/N=C/c2ccco2)n1.Cc1cccc(C)c1Nc1c(-c2ccccc2NC(=O)Nc2ccccc2)nc2c(C(=O)NCc3ccc(F)cc3)cccn12.O=C1C(Cc2ccc(O)cc2)NC(=S)N1C1CCCCC1.O=C1NC(Cc2ccc3[nH]ccc3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C36H31FN6O2.C35H33N3O10.C18H15N3O2.C16H20N2O2S.C10H10N4O2/c1-23-10-8-11-24(2)31(23)41-34-32(28-14-6-7-16-30(28)40-36(45)39-27-12-4-3-5-13-27)42-33-29(15-9-21-43(33)34)35(44)38-22-25-17-19-26(37)20-18-25;1-3-48-30(44)7-5-4-6-27(41)32-20(2)36(33(45)22-10-8-21(9-11-22)31-25(39)16-17-26(31)40)35(47)38(32)34(46)23-12-14-24(15-13-23)37-28(42)18-19-29(37)43;22-17-16(11-12-6-7-15-13(10-12)8-9-19-15)20-18(23)21(17)14-4-2-1-3-5-14;19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12;1-7-5-9(15)13-10(12-7)14-11-6-8-3-2-4-16-8/h3-21,41H,22H2,1-2H3,(H,38,44)(H2,39,40,45);8-15,31H,3-7,16-19H2,1-2H3;1-10,16,19H,11H2,(H,20,23);6-9,12,14,19H,1-5,10H2,(H,17,21);2-6H,1H3,(H2,12,13,14,15)/b;;;;11-6+
InChIKeyPGUAXDVFJWDGGF-QKCALHMYSA-N
MW2082.31 g/mol
LogP17.69
Rot. Bonds28

About 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione

3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione (PubChem CID 172953913) has the molecular formula C115H109FN18O18S and a molecular weight of 2082.31 g/mol. Its IUPAC name is 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione
PubChem CID172953913
Molecular FormulaC115H109FN18O18S
Molecular Weight2082.31 g/mol
Exact Mass2080.79
IUPAC Name3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione
SMILESCCOC(=O)CCCCC(=O)c1c(C)n(C(=O)c2ccc(C3C(=O)CCC3=O)cc2)c(=O)n1C(=O)c1ccc(N2C(=O)CCC2=O)cc1.Cc1cc(=O)[nH]c(N/N=C/c2ccco2)n1.Cc1cccc(C)c1Nc1c(-c2ccccc2NC(=O)Nc2ccccc2)nc2c(C(=O)NCc3ccc(F)cc3)cccn12.O=C1C(Cc2ccc(O)cc2)NC(=S)N1C1CCCCC1.O=C1NC(Cc2ccc3[nH]ccc3c2)C(=O)N1c1ccccc1
InChIInChI=1S/C36H31FN6O2.C35H33N3O10.C18H15N3O2.C16H20N2O2S.C10H10N4O2/c1-23-10-8-11-24(2)31(23)41-34-32(28-14-6-7-16-30(28)40-36(45)39-27-12-4-3-5-13-27)42-33-29(15-9-21-43(33)34)35(44)38-22-25-17-19-26(37)20-18-25;1-3-48-30(44)7-5-4-6-27(41)32-20(2)36(33(45)22-10-8-21(9-11-22)31-25(39)16-17-26(31)40)35(47)38(32)34(46)23-12-14-24(15-13-23)37-28(42)18-19-29(37)43;22-17-16(11-12-6-7-15-13(10-12)8-9-19-15)20-18(23)21(17)14-4-2-1-3-5-14;19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12;1-7-5-9(15)13-10(12-7)14-11-6-8-3-2-4-16-8/h3-21,41H,22H2,1-2H3,(H,38,44)(H2,39,40,45);8-15,31H,3-7,16-19H2,1-2H3;1-10,16,19H,11H2,(H,20,23);6-9,12,14,19H,1-5,10H2,(H,17,21);2-6H,1H3,(H2,12,13,14,15)/b;;;;11-6+
InChIKeyPGUAXDVFJWDGGF-QKCALHMYSA-N
XLogP17.69
TPSA476.57 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002082.31
LogP ≤ 517.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione (CID 172953913) is 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione is CCOC(=O)CCCCC(=O)c1c(C)n(C(=O)c2ccc(C3C(=O)CCC3=O)cc2)c(=O)n1C(=O)c1ccc(N2C(=O)CCC2=O)cc1.Cc1cc(=O)[nH]c(N/N=C/c2ccco2)n1.Cc1cccc(C)c1Nc1c(-c2ccccc2NC(=O)Nc2ccccc2)nc2c(C(=O)NCc3ccc(F)cc3)cccn12.O=C1C(Cc2ccc(O)cc2)NC(=S)N1C1CCCCC1.O=C1NC(Cc2ccc3[nH]ccc3c2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione?
The InChIKey is PGUAXDVFJWDGGF-QKCALHMYSA-N. The full InChI is InChI=1S/C36H31FN6O2.C35H33N3O10.C18H15N3O2.C16H20N2O2S.C10H10N4O2/c1-23-10-8-11-24(2)31(23)41-34-32(28-14-6-7-16-30(28)40-36(45)39-27-12-4-3-5-13-27)42-33-29(15-9-21-43(33)34)35(44)38-22-25-17-19-26(37)20-18-25;1-3-48-30(44)7-5-4-6-27(41)32-20(2)36(33(45)22-10-8-21(9-11-22)31-25(39)16-17-26(31)40)35(47)38(32)34(46)23-12-14-24(15-13-23)37-28(42)18-19-29(37)43;22-17-16(11-12-6-7-15-13(10-12)8-9-19-15)20-18(23)21(17)14-4-2-1-3-5-14;19-13-8-6-11(7-9-13)10-14-15(20)18(16(21)17-14)12-4-2-1-3-5-12;1-7-5-9(15)13-10(12-7)14-11-6-8-3-2-4-16-8/h3-21,41H,22H2,1-2H3,(H,38,44)(H2,39,40,45);8-15,31H,3-7,16-19H2,1-2H3;1-10,16,19H,11H2,(H,20,23);6-9,12,14,19H,1-5,10H2,(H,17,21);2-6H,1H3,(H2,12,13,14,15)/b;;;;11-6+.
What are the key properties of 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione?
3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione has a molecular weight of 2082.31 g/mol, XLogP of 17.69, 28 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[(4-hydroxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one;3-(2,6-dimethylanilino)-N-[(4-fluorophenyl)methyl]-2-[2-(phenylcarbamoylamino)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;ethyl 6-[1-[4-(2,5-dioxocyclopentyl)benzoyl]-3-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-5-methyl-2-oxoimidazol-4-yl]-6-oxohexanoate;2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one;5-(1H-indol-5-ylmethyl)-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 172953913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).