(2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one

C50H46F2N10O5 — CID 143760325

About (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one

(2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one (PubChem CID 143760325) has the molecular formula C50H46F2N10O5 and a molecular weight of 904.98 g/mol. Its IUPAC name is (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one.

Molecular Properties

• Compound Name: (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one
• PubChem CID: 143760325
• Molecular Formula: C50H46F2N10O5
• Molecular Weight: 904.98 g/mol
• Exact Mass: 904.36
• IUPAC Name: (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one
• SMILES: COc1cc(/C=c2\[nH]c3n(c2=O)C(COCc2cn(-c4ccc(/C=c5\[nH]c6n(c5=O)C(C)(c5ccc(F)cc5)CCN=6)cc4OC)cn2)(c2ccc(F)cc2)CCN=3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C50H46F2N10O5/c1-31-25-59(29-55-31)41-15-5-33(23-43(41)65-3)22-40-46(64)62-48(58-40)54-20-18-50(62,35-9-13-37(52)14-10-35)28-67-27-38-26-60(30-56-38)42-16-6-32(24-44(42)66-4)21-39-45(63)61-47(57-39)53-19-17-49(61,2)34-7-11-36(51)12-8-34/h5-16,21-26,29-30H,17-20,27-28H2,1-4H3,(H,53,57)(H,54,58)/b39-21-,40-22-
• InChIKey: VDXGGGUQDWWSFS-AYALNUJPSA-N
• XLogP: 4.07
• TPSA: 163.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.98
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one?

The IUPAC name of (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one (CID 143760325) is (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one.

What is the SMILES notation for (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one?

The canonical SMILES for (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one is COc1cc(/C=c2\[nH]c3n(c2=O)C(COCc2cn(-c4ccc(/C=c5\[nH]c6n(c5=O)C(C)(c5ccc(F)cc5)CCN=6)cc4OC)cn2)(c2ccc(F)cc2)CCN=3)ccc1-n1cnc(C)c1.

What is the InChIKey of (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one?

The InChIKey is VDXGGGUQDWWSFS-AYALNUJPSA-N. The full InChI is InChI=1S/C50H46F2N10O5/c1-31-25-59(29-55-31)41-15-5-33(23-43(41)65-3)22-40-46(64)62-48(58-40)54-20-18-50(62,35-9-13-37(52)14-10-35)28-67-27-38-26-60(30-56-38)42-16-6-32(24-44(42)66-4)21-39-45(63)61-47(57-39)53-19-17-49(61,2)34-7-11-36(51)12-8-34/h5-16,21-26,29-30H,17-20,27-28H2,1-4H3,(H,53,57)(H,54,58)/b39-21-,40-22-.

What are the key properties of (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one?

(2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one has a molecular weight of 904.98 g/mol, XLogP of 4.07, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-5-(4-fluorophenyl)-2-[[4-[4-[[(2Z)-5-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-oxo-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-5-yl]methoxymethyl]imidazol-1-yl]-3-methoxyphenyl]methylidene]-5-methyl-6,7-dihydro-1H-imidazo[1,2-a]pyrimidin-3-one is sourced from PubChem (CID 143760325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).