(2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C21H19BrN2OS — CID 22306600

IUPAC(2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2c(nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n32)c(Br)c1C
InChIInChI=1S/C21H19BrN2OS/c1-11(2)15-7-5-14(6-8-15)10-17-20(25)24-16-9-12(3)13(4)18(22)19(16)23-21(24)26-17/h5-11H,1-4H3/b17-10-
InChIKeyGXQVDDZDTOFAQZ-YVLHZVERSA-N
MW427.37 g/mol
LogP4.96
Rot. Bonds2

About (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 22306600) has the molecular formula C21H19BrN2OS and a molecular weight of 427.37 g/mol. Its IUPAC name is (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID22306600
Molecular FormulaC21H19BrN2OS
Molecular Weight427.37 g/mol
Exact Mass426.04
IUPAC Name(2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCc1cc2c(nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n32)c(Br)c1C
InChIInChI=1S/C21H19BrN2OS/c1-11(2)15-7-5-14(6-8-15)10-17-20(25)24-16-9-12(3)13(4)18(22)19(16)23-21(24)26-17/h5-11H,1-4H3/b17-10-
InChIKeyGXQVDDZDTOFAQZ-YVLHZVERSA-N
XLogP4.96
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 22306600) is (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is Cc1cc2c(nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n32)c(Br)c1C.
What is the InChIKey of (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is GXQVDDZDTOFAQZ-YVLHZVERSA-N. The full InChI is InChI=1S/C21H19BrN2OS/c1-11(2)15-7-5-14(6-8-15)10-17-20(25)24-16-9-12(3)13(4)18(22)19(16)23-21(24)26-17/h5-11H,1-4H3/b17-10-.
What are the key properties of (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 427.37 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-6,7-dimethyl-2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 22306600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).