bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one

C155H150F6N26O16 — CID 157181948

About bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one

bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one (PubChem CID 157181948) has the molecular formula C155H150F6N26O16 and a molecular weight of 2747.06 g/mol. Its IUPAC name is bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

• Compound Name: bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one
• PubChem CID: 157181948
• Molecular Formula: C155H150F6N26O16
• Molecular Weight: 2747.06 g/mol
• Exact Mass: 2745.16
• IUPAC Name: bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one
• SMILES: COc1cc(/C=C2\CCC(=O)N3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)C(=O)N3C2=NCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCC(=O)N3C2=NCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C27H27FN4O2.2C26H26FN5O3.C26H25FN4O3.C26H25FN4O2.C24H21FN4O3/c1-18-16-31(17-30-18)23-10-4-19(15-24(23)34-3)14-20-5-11-25(33)32-26(20)29-13-12-27(32,2)21-6-8-22(28)9-7-21;2*1-17-12-31(16-29-17)22-9-4-18(11-23(22)35-3)10-19-13-30(2)25(34)32-24(19)28-14-26(32,15-33)20-5-7-21(27)8-6-20;1-16-13-30(15-29-16)21-10-5-18(11-22(21)33-4)12-23-24-28-14-26(3,19-6-8-20(27)9-7-19)31(24)25(32)17(2)34-23;1-17-15-30(16-29-17)23-9-3-18(14-24(23)33-2)13-20-6-10-25(32)31-22(11-12-28-26(20)31)19-4-7-21(27)8-5-19;1-15-12-28(14-27-15)19-8-3-16(9-21(19)31-2)10-22-24-26-11-20(29(24)23(30)13-32-22)17-4-6-18(25)7-5-17/h4,6-10,14-17H,5,11-13H2,1-3H3;2*4-12,16,33H,13-15H2,1-3H3;5-13,15,17H,14H2,1-4H3;3-5,7-9,13-16,22H,6,10-12H2,1-2H3;3-10,12,14,20H,11,13H2,1-2H3/b20-14+;2*19-10+;23-12-;20-13+;22-10-
• InChIKey: AOQZSHXSNGHQQX-NNVMPDPGSA-N
• XLogP: 24.61
• TPSA: 423.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 203
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.06
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one?

The IUPAC name of bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one (CID 157181948) is bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one.

What is the SMILES notation for bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one?

The canonical SMILES for bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one is COc1cc(/C=C2\CCC(=O)N3C2=NCCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCC(=O)N3C2=NCCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CN(C)C(=O)N3C2=NCC3(CO)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OC(C)C(=O)N3C2=NCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.COc1cc(/C=C2\OCC(=O)N3C2=NCC3c2ccc(F)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one?

The InChIKey is AOQZSHXSNGHQQX-NNVMPDPGSA-N. The full InChI is InChI=1S/C27H27FN4O2.2C26H26FN5O3.C26H25FN4O3.C26H25FN4O2.C24H21FN4O3/c1-18-16-31(17-30-18)23-10-4-19(15-24(23)34-3)14-20-5-11-25(33)32-26(20)29-13-12-27(32,2)21-6-8-22(28)9-7-21;2*1-17-12-31(16-29-17)22-9-4-18(11-23(22)35-3)10-19-13-30(2)25(34)32-24(19)28-14-26(32,15-33)20-5-7-21(27)8-6-20;1-16-13-30(15-29-16)21-10-5-18(11-22(21)33-4)12-23-24-28-14-26(3,19-6-8-20(27)9-7-19)31(24)25(32)17(2)34-23;1-17-15-30(16-29-17)23-9-3-18(14-24(23)33-2)13-20-6-10-25(32)31-22(11-12-28-26(20)31)19-4-7-21(27)8-5-19;1-15-12-28(14-27-15)19-8-3-16(9-21(19)31-2)10-22-24-26-11-20(29(24)23(30)13-32-22)17-4-6-18(25)7-5-17/h4,6-10,14-17H,5,11-13H2,1-3H3;2*4-12,16,33H,13-15H2,1-3H3;5-13,15,17H,14H2,1-4H3;3-5,7-9,13-16,22H,6,10-12H2,1-2H3;3-10,12,14,20H,11,13H2,1-2H3/b20-14+;2*19-10+;23-12-;20-13+;22-10-.

What are the key properties of bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one?

bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one has a molecular weight of 2747.06 g/mol, XLogP of 24.61, 26 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for bis((8E)-3-(4-fluorophenyl)-3-(hydroxymethyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-methyl-2,7-dihydroimidazo[1,2-c]pyrimidin-5-one);(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-2,3-dihydroimidazo[2,1-c][1,4]oxazin-5-one;(8Z)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,6-dimethyl-2H-imidazo[2,1-c][1,4]oxazin-5-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methyl-2,3,7,8-tetrahydropyrido[1,2-a]pyrimidin-6-one;(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,4,7,8-tetrahydro-2H-pyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 157181948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).