4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole

C38H22N4OS — CID 146631630

IUPAC4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cccc3c2oc2nc4ccccc4n23)c(-c2ccccc2-c2cccc3c2sc2nc4ccccc4n23)c1
InChIInChI=1S/C38H22N4OS/c1-3-13-25(27-15-9-21-33-35(27)43-37-39-29-17-5-7-19-31(29)41(33)37)23(11-1)24-12-2-4-14-26(24)28-16-10-22-34-36(28)44-38-40-30-18-6-8-20-32(30)42(34)38/h1-22H
InChIKeyPAVASWPVVHVAEU-UHFFFAOYSA-N
MW582.69 g/mol
LogP10.25
Rot. Bonds3

About 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole

4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole (PubChem CID 146631630) has the molecular formula C38H22N4OS and a molecular weight of 582.69 g/mol. Its IUPAC name is 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole.

Molecular Properties

Compound Name4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
PubChem CID146631630
Molecular FormulaC38H22N4OS
Molecular Weight582.69 g/mol
Exact Mass582.15
IUPAC Name4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
SMILESc1ccc(-c2cccc3c2oc2nc4ccccc4n23)c(-c2ccccc2-c2cccc3c2sc2nc4ccccc4n23)c1
InChIInChI=1S/C38H22N4OS/c1-3-13-25(27-15-9-21-33-35(27)43-37-39-29-17-5-7-19-31(29)41(33)37)23(11-1)24-12-2-4-14-26(24)28-16-10-22-34-36(28)44-38-40-30-18-6-8-20-32(30)42(34)38/h1-22H
InChIKeyPAVASWPVVHVAEU-UHFFFAOYSA-N
XLogP10.25
TPSA47.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.69
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole 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 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The IUPAC name of 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole (CID 146631630) is 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole.
What is the SMILES notation for 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The canonical SMILES for 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole is c1ccc(-c2cccc3c2oc2nc4ccccc4n23)c(-c2ccccc2-c2cccc3c2sc2nc4ccccc4n23)c1.
What is the InChIKey of 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
The InChIKey is PAVASWPVVHVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4OS/c1-3-13-25(27-15-9-21-33-35(27)43-37-39-29-17-5-7-19-31(29)41(33)37)23(11-1)24-12-2-4-14-26(24)28-16-10-22-34-36(28)44-38-40-30-18-6-8-20-32(30)42(34)38/h1-22H.
What are the key properties of 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole?
4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole has a molecular weight of 582.69 g/mol, XLogP of 10.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-4-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole is sourced from PubChem (CID 146631630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).