2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole

C22H14ClN3S — CID 7912114

IUPAC2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
SMILESClc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H14ClN3S/c23-15-11-9-14(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)27-22/h1-13H,(H,24,25)/b16-13+
InChIKeyLYWSDOVAKVJAAB-DTQAZKPQSA-N
MW387.90 g/mol
LogP6.41
Rot. Bonds3

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

2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole (PubChem CID 7912114) has the molecular formula C22H14ClN3S and a molecular weight of 387.90 g/mol. Its IUPAC name is 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
PubChem CID7912114
Molecular FormulaC22H14ClN3S
Molecular Weight387.90 g/mol
Exact Mass387.06
IUPAC Name2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole
SMILESClc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C22H14ClN3S/c23-15-11-9-14(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)27-22/h1-13H,(H,24,25)/b16-13+
InChIKeyLYWSDOVAKVJAAB-DTQAZKPQSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.90
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate
CID 7481175
2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole
CID 6166335
2-[(E)-1-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
CID 18141902
2-[1-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)ethenyl]-1,3-benzothiazole
CID 4658351
2-[2-(4-methylphenyl)-1-phenylethenyl]-1,3-benzothiazole
CID 71321146
2-[1-(1,3-benzothiazol-2-yl)-2-(4-nitrophenyl)ethenyl]-1,3-benzothiazole
CID 3588337
N-hydroxy-1,3-benzothiazole-2-carboximidoyl chloride
CID 137226109
4-[2,2-bis(1,3-benzothiazol-2-yl)ethenyl]-N,N-diethylaniline
CID 3626172
N-[1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]furan-2-carboxamide
CID 2860636
N-[(E)-(4-chlorophenyl)methylideneamino]-1,3-benzothiazole-2-carboxamide
CID 15366501
2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 2753743
2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 4045786

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole (CID 7912114) is 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole is Clc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1.
What is the InChIKey of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is LYWSDOVAKVJAAB-DTQAZKPQSA-N. The full InChI is InChI=1S/C22H14ClN3S/c23-15-11-9-14(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)27-22/h1-13H,(H,24,25)/b16-13+.
What are the key properties of 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole?
2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 387.90 g/mol, XLogP of 6.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 7912114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).