(2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one

C27H28FN5O — CID 58102093

About (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one

(2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one (PubChem CID 58102093) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one.

Molecular Properties

• Compound Name: (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one
• PubChem CID: 58102093
• Molecular Formula: C27H28FN5O
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.23
• IUPAC Name: (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one
• SMILES: CCCN1CC[C@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(C)c3)N=C12
• InChI: InChI=1S/C27H28FN5O/c1-4-12-31-13-11-25(21-6-8-22(28)9-7-21)33-26(34)23(30-27(31)33)15-20-5-10-24(18(2)14-20)32-16-19(3)29-17-32/h5-10,14-17,25H,4,11-13H2,1-3H3/b23-15-/t25-/m1/s1
• InChIKey: NBKHPIZFZDTZTQ-LWUPDDLQSA-N
• XLogP: 5.02
• TPSA: 53.73 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.55
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one?

The IUPAC name of (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one (CID 58102093) is (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one.

What is the SMILES notation for (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one?

The canonical SMILES for (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one is CCCN1CC[C@H](c2ccc(F)cc2)N2C(=O)/C(=C/c3ccc(-n4cnc(C)c4)c(C)c3)N=C12.

What is the InChIKey of (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one?

The InChIKey is NBKHPIZFZDTZTQ-LWUPDDLQSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-4-12-31-13-11-25(21-6-8-22(28)9-7-21)33-26(34)23(30-27(31)33)15-20-5-10-24(18(2)14-20)32-16-19(3)29-17-32/h5-10,14-17,25H,4,11-13H2,1-3H3/b23-15-/t25-/m1/s1.

What are the key properties of (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one?

(2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one has a molecular weight of 457.55 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,5R)-5-(4-fluorophenyl)-2-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-8-propyl-6,7-dihydro-5H-imidazo[1,2-a]pyrimidin-3-one is sourced from PubChem (CID 58102093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).