2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole

C22H13Cl2N3S — CID 6166335

IUPAC2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole
SMILESClc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1Cl
InChIInChI=1S/C22H13Cl2N3S/c23-15-7-5-6-13(20(15)24)12-14(21-25-16-8-1-2-9-17(16)26-21)22-27-18-10-3-4-11-19(18)28-22/h1-12H,(H,25,26)/b14-12-
InChIKeyKHNAVGGUFQJTDB-OWBHPGMISA-N
MW422.34 g/mol
LogP7.07
Rot. Bonds3

About 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole

2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole (PubChem CID 6166335) has the molecular formula C22H13Cl2N3S and a molecular weight of 422.34 g/mol. Its IUPAC name is 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole
PubChem CID6166335
Molecular FormulaC22H13Cl2N3S
Molecular Weight422.34 g/mol
Exact Mass421.02
IUPAC Name2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole
SMILESClc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1Cl
InChIInChI=1S/C22H13Cl2N3S/c23-15-7-5-6-13(20(15)24)12-14(21-25-16-8-1-2-9-17(16)26-21)22-27-18-10-3-4-11-19(18)28-22/h1-12H,(H,25,26)/b14-12-
InChIKeyKHNAVGGUFQJTDB-OWBHPGMISA-N
XLogP7.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
4-[(E)-2-(1H-benzimidazol-2-yl)-2-(1,3-benzothiazol-2-yl)ethenyl]benzoate
CID 7481175
(E)-4-(1,3-benzothiazol-2-yl)-5-(2,3-dichlorophenyl)pent-4-enoic acid
CID 6533703
2-[1-(1,3-benzothiazol-2-yl)-2-(3-chlorophenyl)ethenyl]-1,3-benzothiazole
CID 4658351
(E)-1-(1H-benzimidazol-2-yl)-3-(2-chlorophenyl)prop-2-en-1-one
CID 6167552
(Z)-3-(2,3-dichlorophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 110537219
(E)-4-(1,3-benzothiazol-2-yl)-5-(2-chlorophenyl)pent-4-enoate
CID 7970798
(E)-5-(1,3-benzothiazol-2-yl)-6-(2-chlorophenyl)hex-5-enoic acid
CID 18277446
(Z)-3-(2,3-dichlorophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 110536384
2-(1H-benzimidazol-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2850991
2-(1,3-benzothiazol-2-yl)-3-[5-(2,3-dichlorophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
CID 3903152

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole?
The IUPAC name of 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole (CID 6166335) is 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole is Clc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1Cl.
What is the InChIKey of 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole?
The InChIKey is KHNAVGGUFQJTDB-OWBHPGMISA-N. The full InChI is InChI=1S/C22H13Cl2N3S/c23-15-7-5-6-13(20(15)24)12-14(21-25-16-8-1-2-9-17(16)26-21)22-27-18-10-3-4-11-19(18)28-22/h1-12H,(H,25,26)/b14-12-.
What are the key properties of 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole?
2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole has a molecular weight of 422.34 g/mol, XLogP of 7.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(1H-benzimidazol-2-yl)-2-(2,3-dichlorophenyl)ethenyl]-1,3-benzothiazole is sourced from PubChem (CID 6166335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).