2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C19H16N2OS — CID 3126656

IUPAC2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCC(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C19H16N2OS/c1-12(2)14-9-7-13(8-10-14)11-17-18(22)21-16-6-4-3-5-15(16)20-19(21)23-17/h3-12H,1-2H3
InChIKeyHWTXWALTBDBCNM-UHFFFAOYSA-N
MW320.42 g/mol
LogP3.58
Rot. Bonds2

About 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 3126656) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID3126656
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESCC(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1
InChIInChI=1S/C19H16N2OS/c1-12(2)14-9-7-13(8-10-14)11-17-18(22)21-16-6-4-3-5-15(16)20-19(21)23-17/h3-12H,1-2H3
InChIKeyHWTXWALTBDBCNM-UHFFFAOYSA-N
XLogP3.58
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 682128
4-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]benzonitrile
CID 92967136
2-[[4-(N-methylanilino)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 3550266
(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2289829
2-[(4-butoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 4264144
(2Z)-2-[(3-chloro-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 847974
(2Z)-2-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 2065735
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1128770
2-[(3-bromo-4-hydroxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1250170
(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 5455647
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 668008
(2Z)-2-[(3-bromo-4-methoxyphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 1245045

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 3126656) is 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CC(C)c1ccc(C=c2sc3nc4ccccc4n3c2=O)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is HWTXWALTBDBCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-12(2)14-9-7-13(8-10-14)11-17-18(22)21-16-6-4-3-5-15(16)20-19(21)23-17/h3-12H,1-2H3.
What are the key properties of 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 320.42 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 3126656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).