4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate

C23H14N3O2S- — CID 7481175

IUPAC4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate
SMILESO=C([O-])c1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H15N3O2S/c27-23(28)15-11-9-14(10-12-15)13-16(21-24-17-5-1-2-6-18(17)25-21)22-26-19-7-3-4-8-20(19)29-22/h1-13H,(H,24,25)(H,27,28)/p-1/b16-13+
InChIKeyQSMNYMDJWJLCIO-DTQAZKPQSA-M
MW396.45 g/mol
LogP4.12
Rot. Bonds4

About 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate

4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate (PubChem CID 7481175) has the molecular formula C23H14N3O2S- and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate.

Molecular Properties

Compound Name4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate
PubChem CID7481175
Molecular FormulaC23H14N3O2S-
Molecular Weight396.45 g/mol
Exact Mass396.08
IUPAC Name4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate
SMILESO=C([O-])c1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H15N3O2S/c27-23(28)15-11-9-14(10-12-15)13-16(21-24-17-5-1-2-6-18(17)25-21)22-26-19-7-3-4-8-20(19)29-22/h1-13H,(H,24,25)(H,27,28)/p-1/b16-13+
InChIKeyQSMNYMDJWJLCIO-DTQAZKPQSA-M
XLogP4.12
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
CID 7912114
2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
CID 18141902
2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole
CID 6166335
2-[1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3588337
2-[2-(4-methylphenyl)-1-phenylethenyl]-1,3-benzothiazole
CID 71321146
4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]benzoic acid
CID 3622106
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
(E)-3-(1,3-benzothiazol-2-yl)-4-(4-methoxycarbonylphenyl)but-3-enoate
CID 7810356
(E)-4-(1,3-benzothiazol-2-yl)-5-(4-hydroxyphenyl)pent-4-enoate
CID 135750834
[4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]phenyl] pyridine-3-carboxylate
CID 4646251
4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 3626172
2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 2753743

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate?
The IUPAC name of 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate (CID 7481175) is 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate.
What is the SMILES notation for 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate?
The canonical SMILES for 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate is O=C([O-])c1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1.
What is the InChIKey of 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate?
The InChIKey is QSMNYMDJWJLCIO-DTQAZKPQSA-M. The full InChI is InChI=1S/C23H15N3O2S/c27-23(28)15-11-9-14(10-12-15)13-16(21-24-17-5-1-2-6-18(17)25-21)22-26-19-7-3-4-8-20(19)29-22/h1-13H,(H,24,25)(H,27,28)/p-1/b16-13+.
What are the key properties of 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate?
4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate has a molecular weight of 396.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate is sourced from PubChem (CID 7481175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).