2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole

C28H19N3S — CID 51350635

IUPAC2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole
SMILESC(=C/c1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H19N3S/c1-3-9-20(10-4-1)15-18-27-29-24-19-21(28-30-23-13-7-8-14-26(23)32-28)16-17-25(24)31(27)22-11-5-2-6-12-22/h1-19H/b18-15+
InChIKeyJTKUTAPOYQTPMQ-OBGWFSINSA-N
MW429.55 g/mol
LogP7.47
Rot. Bonds4

About 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole

2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole (PubChem CID 51350635) has the molecular formula C28H19N3S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole
PubChem CID51350635
Molecular FormulaC28H19N3S
Molecular Weight429.55 g/mol
Exact Mass429.13
IUPAC Name2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole
SMILESC(=C/c1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H19N3S/c1-3-9-20(10-4-1)15-18-27-29-24-19-21(28-30-23-13-7-8-14-26(23)32-28)16-17-25(24)31(27)22-11-5-2-6-12-22/h1-19H/b18-15+
InChIKeyJTKUTAPOYQTPMQ-OBGWFSINSA-N
XLogP7.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.55
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]phenyl]-1,3-benzothiazole
CID 58995434
2-[3-ethyl-1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-3-ium-5-yl]-1,3-benzothiazole
CID 51349824
5-bromo-1-phenyl-2-(2-phenylethenyl)benzimidazole
CID 54183836
1-(4-chlorophenyl)-2-[(E)-2-phenylethenyl]benzimidazole
CID 11702687
4-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]aniline
CID 170794695
2-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-1,3-benzothiazole
CID 149057989
2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 118335132
1-phenyl-2-[(E)-2-pyridin-3-ylethenyl]benzimidazole
CID 67621656
2-[3-(10-phenylphenazin-5-yl)phenyl]-1,3-benzothiazole
CID 140607089
N,N-dimethyl-4-[2-(1-phenylbenzimidazol-2-yl)ethenyl]aniline
CID 3304357
6-(1,3-benzothiazol-2-yl)-9-ethylcarbazole-3-carbaldehyde
CID 141259148
2-[4-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-1,3-benzothiazole
CID 171756549

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole?
The IUPAC name of 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole (CID 51350635) is 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole is C(=C/c1nc2cc(-c3nc4ccccc4s3)ccc2n1-c1ccccc1)\c1ccccc1.
What is the InChIKey of 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole?
The InChIKey is JTKUTAPOYQTPMQ-OBGWFSINSA-N. The full InChI is InChI=1S/C28H19N3S/c1-3-9-20(10-4-1)15-18-27-29-24-19-21(28-30-23-13-7-8-14-26(23)32-28)16-17-25(24)31(27)22-11-5-2-6-12-22/h1-19H/b18-15+.
What are the key properties of 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole?
2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole has a molecular weight of 429.55 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-2-[(E)-2-phenylethenyl]benzimidazol-5-yl]-1,3-benzothiazole is sourced from PubChem (CID 51350635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).