2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole

C22H16N2OS — CID 53325302

IUPAC2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C22H16N2OS/c1-25-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19-14-24-20-4-2-3-5-21(20)26-22(24)23-19/h2-14H,1H3
InChIKeyMWOXFRRUPMXZDF-UHFFFAOYSA-N
MW356.45 g/mol
LogP5.89
Rot. Bonds3

About 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole

2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole (PubChem CID 53325302) has the molecular formula C22H16N2OS and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole
PubChem CID53325302
Molecular FormulaC22H16N2OS
Molecular Weight356.45 g/mol
Exact Mass356.10
IUPAC Name2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole
SMILESCOc1ccc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C22H16N2OS/c1-25-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19-14-24-20-4-2-3-5-21(20)26-22(24)23-19/h2-14H,1H3
InChIKeyMWOXFRRUPMXZDF-UHFFFAOYSA-N
XLogP5.89
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.45
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole (CID 53325302) is 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole is COc1ccc(-c2ccc(-c3cn4c(n3)sc3ccccc34)cc2)cc1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is MWOXFRRUPMXZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS/c1-25-18-12-10-16(11-13-18)15-6-8-17(9-7-15)19-14-24-20-4-2-3-5-21(20)26-22(24)23-19/h2-14H,1H3.
What are the key properties of 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole?
2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 356.45 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)phenyl]imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 53325302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).