6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole

C25H17F3N4O2S — CID 155806584

IUPAC6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C25H17F3N4O2S/c1-33-15-6-3-13(4-7-15)21-22(23-29-17-9-5-14(25(26,27)28)11-18(17)30-23)32-19-10-8-16(34-2)12-20(19)35-24(32)31-21/h3-12H,1-2H3,(H,29,30)
InChIKeyACOBYUAADPDKFD-UHFFFAOYSA-N
MW494.50 g/mol
LogP6.80
Rot. Bonds4

About 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole

6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole (PubChem CID 155806584) has the molecular formula C25H17F3N4O2S and a molecular weight of 494.50 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole
PubChem CID155806584
Molecular FormulaC25H17F3N4O2S
Molecular Weight494.50 g/mol
Exact Mass494.10
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2nc3sc4cc(OC)ccc4n3c2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C25H17F3N4O2S/c1-33-15-6-3-13(4-7-15)21-22(23-29-17-9-5-14(25(26,27)28)11-18(17)30-23)32-19-10-8-16(34-2)12-20(19)35-24(32)31-21/h3-12H,1-2H3,(H,29,30)
InChIKeyACOBYUAADPDKFD-UHFFFAOYSA-N
XLogP6.80
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.50
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole (CID 155806584) is 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2nc3sc4cc(OC)ccc4n3c2-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is ACOBYUAADPDKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N4O2S/c1-33-15-6-3-13(4-7-15)21-22(23-29-17-9-5-14(25(26,27)28)11-18(17)30-23)32-19-10-8-16(34-2)12-20(19)35-24(32)31-21/h3-12H,1-2H3,(H,29,30).
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole?
6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 494.50 g/mol, XLogP of 6.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 155806584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).