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

C23H20FN5O2 — CID 25187263

IUPAC(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
SMILESCOc1cc(/C=c2\[nH]c3n(c2=O)C(c2ccc(F)cc2)CN=3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20FN5O2/c1-14-12-28(13-26-14)19-8-3-15(10-21(19)31-2)9-18-22(30)29-20(11-25-23(29)27-18)16-4-6-17(24)7-5-16/h3-10,12-13,20H,11H2,1-2H3,(H,25,27)/b18-9-
InChIKeyNMWVRADAQAHSLL-NVMNQCDNSA-N
MW417.44 g/mol
LogP1.87
Rot. Bonds4

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

(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one (PubChem CID 25187263) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one.

Molecular Properties

Compound Name(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
PubChem CID25187263
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC Name(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one
SMILESCOc1cc(/C=c2\[nH]c3n(c2=O)C(c2ccc(F)cc2)CN=3)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20FN5O2/c1-14-12-28(13-26-14)19-8-3-15(10-21(19)31-2)9-18-22(30)29-20(11-25-23(29)27-18)16-4-6-17(24)7-5-16/h3-10,12-13,20H,11H2,1-2H3,(H,25,27)/b18-9-
InChIKeyNMWVRADAQAHSLL-NVMNQCDNSA-N
XLogP1.87
TPSA77.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one?
The IUPAC name of (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one (CID 25187263) is (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one.
What is the SMILES notation for (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one?
The canonical SMILES for (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one is COc1cc(/C=c2\[nH]c3n(c2=O)C(c2ccc(F)cc2)CN=3)ccc1-n1cnc(C)c1.
What is the InChIKey of (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one?
The InChIKey is NMWVRADAQAHSLL-NVMNQCDNSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-14-12-28(13-26-14)19-8-3-15(10-21(19)31-2)9-18-22(30)29-20(11-25-23(29)27-18)16-4-6-17(24)7-5-16/h3-10,12-13,20H,11H2,1-2H3,(H,25,27)/b18-9-.
What are the key properties of (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one?
(6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one has a molecular weight of 417.44 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-(4-fluorophenyl)-6-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3,7-dihydro-2H-imidazo[1,2-a]imidazol-5-one is sourced from PubChem (CID 25187263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).