(2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C25H15FN4OS — CID 5440507

IUPAC(2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc3ccccc3n12
InChIInChI=1S/C25H15FN4OS/c26-18-12-10-16(11-13-18)23-17(15-29(28-23)19-6-2-1-3-7-19)14-22-24(31)30-21-9-5-4-8-20(21)27-25(30)32-22/h1-15H/b22-14-
InChIKeyMITJMHCCSUKJKI-HMAPJEAMSA-N
MW438.49 g/mol
LogP4.45
Rot. Bonds3

About (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 5440507) has the molecular formula C25H15FN4OS and a molecular weight of 438.49 g/mol. Its IUPAC name is (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID5440507
Molecular FormulaC25H15FN4OS
Molecular Weight438.49 g/mol
Exact Mass438.10
IUPAC Name(2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc3ccccc3n12
InChIInChI=1S/C25H15FN4OS/c26-18-12-10-16(11-13-18)23-17(15-29(28-23)19-6-2-1-3-7-19)14-22-24(31)30-21-9-5-4-8-20(21)27-25(30)32-22/h1-15H/b22-14-
InChIKeyMITJMHCCSUKJKI-HMAPJEAMSA-N
XLogP4.45
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 5440507) is (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is MITJMHCCSUKJKI-HMAPJEAMSA-N. The full InChI is InChI=1S/C25H15FN4OS/c26-18-12-10-16(11-13-18)23-17(15-29(28-23)19-6-2-1-3-7-19)14-22-24(31)30-21-9-5-4-8-20(21)27-25(30)32-22/h1-15H/b22-14-.
What are the key properties of (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 438.49 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 5440507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).