(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate

C170H186N16O24 — CID 158130441

About (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate

(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate (PubChem CID 158130441) has the molecular formula C170H186N16O24 and a molecular weight of 2837.45 g/mol. Its IUPAC name is (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate.

Molecular Properties

• Compound Name: (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate
• PubChem CID: 158130441
• Molecular Formula: C170H186N16O24
• Molecular Weight: 2837.45 g/mol
• Exact Mass: 2835.38
• IUPAC Name: (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate
• SMILES: CCCCCCCCCCCCN1C(=O)/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)O/C1=N\C(C)C.CCCCCN1C(=O)/C(=C\c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)O/C1=N\c1c(OC)cc(OC)cc1OC.CCCN1C(=O)/C(=C\c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)OC1=NOC(=O)c1ccccc1.CCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)N(c2ccccc2)C1=O.CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)N(C)C1=O.COC(=O)CCN1C(=O)O/C(=C/c2ccc3ccccc3c2)C1=O
• InChI: InChI=1S/C39H51N3O2.C38H41N3O7.C34H31N3O6.C24H25N3O2.C18H15NO5.C17H23N3O2/c1-6-7-8-9-10-11-12-13-14-15-28-41-38(43)37(44-39(41)40-30(2)3)29-33-20-26-36(27-21-33)42(34-22-16-31(4)17-23-34)35-24-18-32(5)19-25-35;1-7-8-9-22-40-37(42)35(48-38(40)39-36-33(46-5)24-32(45-4)25-34(36)47-6)23-26-10-12-27(13-11-26)41(28-14-18-30(43-2)19-15-28)29-16-20-31(44-3)21-17-29;1-4-22-36-32(38)31(42-34(36)35-43-33(39)25-8-6-5-7-9-25)23-24-10-12-26(13-11-24)37(27-14-18-29(40-2)19-15-27)28-16-20-30(41-3)21-17-28;1-2-26-23(28)21(27(24(26)29)20-10-4-3-5-11-20)16-17-14-18-8-6-12-25-13-7-9-19(15-17)22(18)25;1-23-16(20)8-9-19-17(21)15(24-18(19)22)11-12-6-7-13-4-2-3-5-14(13)10-12;1-5-19(6-2)14-10-8-13(9-11-14)12-15-16(21)20(7-3)17(22)18(15)4/h16-27,29-30H,6-15,28H2,1-5H3;10-21,23-25H,7-9,22H2,1-6H3;5-21,23H,4,22H2,1-3H3;3-5,10-11,14-16H,2,6-9,12-13H2,1H3;2-7,10-11H,8-9H2,1H3;8-12H,5-7H2,1-4H3/b37-29+,40-39-;35-23+,39-38-;31-23+,35-34?;21-16+;15-11+;15-12+
• InChIKey: FSSBJIUEILVCQQ-YDOOOMRPSA-N
• XLogP: 35.57
• TPSA: 386.96 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 52
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2837.45
LogP ≤ 5	35.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?

The IUPAC name of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate (CID 158130441) is (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate.

What is the SMILES notation for (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?

The canonical SMILES for (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate is CCCCCCCCCCCCN1C(=O)/C(=C\c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)O/C1=N\C(C)C.CCCCCN1C(=O)/C(=C\c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)O/C1=N\c1c(OC)cc(OC)cc1OC.CCCN1C(=O)/C(=C\c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)OC1=NOC(=O)c1ccccc1.CCN1C(=O)/C(=C\c2cc3c4c(c2)CCCN4CCC3)N(c2ccccc2)C1=O.CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)N(C)C1=O.COC(=O)CCN1C(=O)O/C(=C/c2ccc3ccccc3c2)C1=O.

What is the InChIKey of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?

The InChIKey is FSSBJIUEILVCQQ-YDOOOMRPSA-N. The full InChI is InChI=1S/C39H51N3O2.C38H41N3O7.C34H31N3O6.C24H25N3O2.C18H15NO5.C17H23N3O2/c1-6-7-8-9-10-11-12-13-14-15-28-41-38(43)37(44-39(41)40-30(2)3)29-33-20-26-36(27-21-33)42(34-22-16-31(4)17-23-34)35-24-18-32(5)19-25-35;1-7-8-9-22-40-37(42)35(48-38(40)39-36-33(46-5)24-32(45-4)25-34(36)47-6)23-26-10-12-27(13-11-26)41(28-14-18-30(43-2)19-15-28)29-16-20-31(44-3)21-17-29;1-4-22-36-32(38)31(42-34(36)35-43-33(39)25-8-6-5-7-9-25)23-24-10-12-26(13-11-24)37(27-14-18-29(40-2)19-15-27)28-16-20-30(41-3)21-17-28;1-2-26-23(28)21(27(24(26)29)20-10-4-3-5-11-20)16-17-14-18-8-6-12-25-13-7-9-19(15-17)22(18)25;1-23-16(20)8-9-19-17(21)15(24-18(19)22)11-12-6-7-13-4-2-3-5-14(13)10-12;1-5-19(6-2)14-10-8-13(9-11-14)12-15-16(21)20(7-3)17(22)18(15)4/h16-27,29-30H,6-15,28H2,1-5H3;10-21,23-25H,7-9,22H2,1-6H3;5-21,23H,4,22H2,1-3H3;3-5,10-11,14-16H,2,6-9,12-13H2,1H3;2-7,10-11H,8-9H2,1H3;8-12H,5-7H2,1-4H3/b37-29+,40-39-;35-23+,39-38-;31-23+,35-34?;21-16+;15-11+;15-12+.

What are the key properties of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate?

(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate has a molecular weight of 2837.45 g/mol, XLogP of 35.57, 52 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-3-ethyl-1-phenylimidazolidine-2,4-dione;(5E)-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1-methylimidazolidine-2,4-dione;(5E)-3-dodecyl-5-[[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;[[(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-4-oxo-3-propyl-1,3-oxazolidin-2-ylidene]amino] benzoate;(5E)-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-3-pentyl-2-(2,4,6-trimethoxyphenyl)imino-1,3-oxazolidin-4-one;methyl 3-[(5E)-5-(naphthalen-2-ylmethylidene)-2,4-dioxo-1,3-oxazolidin-3-yl]propanoate is sourced from PubChem (CID 158130441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).