(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C20H16N2O2S — CID 5455647

IUPAC(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(OCC3CC3)cc2)sc2nc3ccccc3n12
InChIInChI=1S/C20H16N2O2S/c23-19-18(25-20-21-16-3-1-2-4-17(16)22(19)20)11-13-7-9-15(10-8-13)24-12-14-5-6-14/h1-4,7-11,14H,5-6,12H2/b18-11-
InChIKeyJKMXFKOBYFQKIE-WQRHYEAKSA-N
MW348.43 g/mol
LogP3.25
Rot. Bonds4

About (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 5455647) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

Compound Name(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
PubChem CID5455647
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
SMILESO=c1/c(=C/c2ccc(OCC3CC3)cc2)sc2nc3ccccc3n12
InChIInChI=1S/C20H16N2O2S/c23-19-18(25-20-21-16-3-1-2-4-17(16)22(19)20)11-13-7-9-15(10-8-13)24-12-14-5-6-14/h1-4,7-11,14H,5-6,12H2/b18-11-
InChIKeyJKMXFKOBYFQKIE-WQRHYEAKSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The IUPAC name of (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 5455647) is (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one.
What is the SMILES notation for (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The canonical SMILES for (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is O=c1/c(=C/c2ccc(OCC3CC3)cc2)sc2nc3ccccc3n12.
What is the InChIKey of (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
The InChIKey is JKMXFKOBYFQKIE-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19-18(25-20-21-16-3-1-2-4-17(16)22(19)20)11-13-7-9-15(10-8-13)24-12-14-5-6-14/h1-4,7-11,14H,5-6,12H2/b18-11-.
What are the key properties of (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one?
(2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 348.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(cyclopropylmethoxy)phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 5455647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).