(2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C24H13ClN4O3S — CID 45126864

IUPAC(2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(/C=c2\sc3nc4ccccc4n3c2=O)c(Oc2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C24H13ClN4O3S/c25-14-8-10-15(11-9-14)32-21-16(22(30)28-12-4-3-7-20(28)27-21)13-19-23(31)29-18-6-2-1-5-17(18)26-24(29)33-19/h1-13H/b19-13-
InChIKeyXCXBHVLVVKJBQJ-UYRXBGFRSA-N
MW472.91 g/mol
LogP3.91
Rot. Bonds3

About (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 45126864) has the molecular formula C24H13ClN4O3S and a molecular weight of 472.91 g/mol. Its IUPAC name is (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID45126864
Molecular FormulaC24H13ClN4O3S
Molecular Weight472.91 g/mol
Exact Mass472.04
IUPAC Name(2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1c(/C=c2\sc3nc4ccccc4n3c2=O)c(Oc2ccc(Cl)cc2)nc2ccccn12
InChIInChI=1S/C24H13ClN4O3S/c25-14-8-10-15(11-9-14)32-21-16(22(30)28-12-4-3-7-20(28)27-21)13-19-23(31)29-18-6-2-1-5-17(18)26-24(29)33-19/h1-13H/b19-13-
InChIKeyXCXBHVLVVKJBQJ-UYRXBGFRSA-N
XLogP3.91
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.91
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 45126864) is (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1c(/C=c2\sc3nc4ccccc4n3c2=O)c(Oc2ccc(Cl)cc2)nc2ccccn12.
What is the InChIKey of (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is XCXBHVLVVKJBQJ-UYRXBGFRSA-N. The full InChI is InChI=1S/C24H13ClN4O3S/c25-14-8-10-15(11-9-14)32-21-16(22(30)28-12-4-3-7-20(28)27-21)13-19-23(31)29-18-6-2-1-5-17(18)26-24(29)33-19/h1-13H/b19-13-.
What are the key properties of (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 472.91 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[2-(4-chlorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 45126864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).