N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide

C23H18N4O2S — CID 121080183

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc4c(c3)ncn4-c3ccccc3)sc2c1
InChIInChI=1S/C23H18N4O2S/c1-2-29-17-9-10-18-21(13-17)30-23(25-18)26-22(28)15-8-11-20-19(12-15)24-14-27(20)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyOADZUSJOHQMKQV-UHFFFAOYSA-N
MW414.49 g/mol
LogP5.29
Rot. Bonds5

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide (PubChem CID 121080183) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
PubChem CID121080183
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc4c(c3)ncn4-c3ccccc3)sc2c1
InChIInChI=1S/C23H18N4O2S/c1-2-29-17-9-10-18-21(13-17)30-23(25-18)26-22(28)15-8-11-20-19(12-15)24-14-27(20)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,26,28)
InChIKeyOADZUSJOHQMKQV-UHFFFAOYSA-N
XLogP5.29
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.49
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 8883299
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
[4-[[6-(ethoxymethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]-phenyliodanium
CID 87394674
N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27283138
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide (CID 121080183) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc4c(c3)ncn4-c3ccccc3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is OADZUSJOHQMKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2S/c1-2-29-17-9-10-18-21(13-17)30-23(25-18)26-22(28)15-8-11-20-19(12-15)24-14-27(20)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,25,26,28).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 121080183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).