(2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

C23H24N2O3S — CID 126398149

About (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one

(2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (PubChem CID 126398149) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

Molecular Properties

• Compound Name: (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• PubChem CID: 126398149
• Molecular Formula: C23H24N2O3S
• Molecular Weight: 408.52 g/mol
• Exact Mass: 408.15
• IUPAC Name: (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one
• SMILES: CC[C@H](C)Oc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC
• InChI: InChI=1S/C23H24N2O3S/c1-6-15(4)28-19-8-7-16(11-20(19)27-5)12-21-22(26)25-18-10-14(3)13(2)9-17(18)24-23(25)29-21/h7-12,15H,6H2,1-5H3/b21-12-/t15-/m0/s1
• InChIKey: RFMRQVXURNKXRX-RANIVTSPSA-N
• XLogP: 4.26
• TPSA: 52.83 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.52
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The IUPAC name of (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one (CID 126398149) is (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one.

What is the SMILES notation for (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The canonical SMILES for (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is CC[C@H](C)Oc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC.

What is the InChIKey of (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

The InChIKey is RFMRQVXURNKXRX-RANIVTSPSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-6-15(4)28-19-8-7-16(11-20(19)27-5)12-21-22(26)25-18-10-14(3)13(2)9-17(18)24-23(25)29-21/h7-12,15H,6H2,1-5H3/b21-12-/t15-/m0/s1.

What are the key properties of (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one?

(2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one has a molecular weight of 408.52 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-[[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]methylidene]-6,7-dimethyl-[1,3]thiazolo[3,2-a]benzimidazol-1-one is sourced from PubChem (CID 126398149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).