(2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C16H9BrN2OS — CID 6297375

IUPAC(2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccccc2Br)sc2nc3ccccc3n12
InChIInChI=1S/C16H9BrN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-
InChIKeyAHXYVPBPTPQNOZ-ZROIWOOFSA-N
MW357.23 g/mol
LogP3.22
Rot. Bonds1

About (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 6297375) has the molecular formula C16H9BrN2OS and a molecular weight of 357.23 g/mol. Its IUPAC name is (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID6297375
Molecular FormulaC16H9BrN2OS
Molecular Weight357.23 g/mol
Exact Mass355.96
IUPAC Name(2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccccc2Br)sc2nc3ccccc3n12
InChIInChI=1S/C16H9BrN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-
InChIKeyAHXYVPBPTPQNOZ-ZROIWOOFSA-N
XLogP3.22
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 6297375) is (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccccc2Br)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is AHXYVPBPTPQNOZ-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H9BrN2OS/c17-11-6-2-1-5-10(11)9-14-15(20)19-13-8-4-3-7-12(13)18-16(19)21-14/h1-9H/b14-9-.
What are the key properties of (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 357.23 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2-bromophenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 6297375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).