N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide

C15H9BrN4OS — CID 10571376

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H9BrN4OS/c16-8-5-6-11-12(7-8)22-15(19-11)20-14(21)13-17-9-3-1-2-4-10(9)18-13/h1-7H,(H,17,18)(H,19,20,21)
InChIKeyZCSAMCVKDYYWMD-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.19
Rot. Bonds2

About N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide

N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide (PubChem CID 10571376) has the molecular formula C15H9BrN4OS and a molecular weight of 373.24 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide
PubChem CID10571376
Molecular FormulaC15H9BrN4OS
Molecular Weight373.24 g/mol
Exact Mass371.97
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide
SMILESO=C(Nc1nc2ccc(Br)cc2s1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H9BrN4OS/c16-8-5-6-11-12(7-8)22-15(19-11)20-14(21)13-17-9-3-1-2-4-10(9)18-13/h1-7H,(H,17,18)(H,19,20,21)
InChIKeyZCSAMCVKDYYWMD-UHFFFAOYSA-N
XLogP4.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-hydroxybenzamide
CID 118657880
N-(6-bromo-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952277
5-(1,3-benzothiazol-2-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 5147677
N-(6-bromo-1,3-benzothiazol-2-yl)-2,2-diphenylacetamide
CID 4162371
N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
[(6-bromo-1,3-benzothiazol-2-yl)carbamoylamino]phosphonic acid
CID 23907634
N-(6-bromo-1,3-benzothiazol-2-yl)but-2-enamide
CID 5196621
2-amino-N-(1,3-benzothiazol-2-yl)-4-bromobenzamide
CID 79713852
N-(6-bromo-1,3-benzothiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 121082888
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrosobenzamide
CID 143038255
5-bromo-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(hydroxymethyl)benzamide
CID 130288197
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide (CID 10571376) is N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide is O=C(Nc1nc2ccc(Br)cc2s1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide?
The InChIKey is ZCSAMCVKDYYWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrN4OS/c16-8-5-6-11-12(7-8)22-15(19-11)20-14(21)13-17-9-3-1-2-4-10(9)18-13/h1-7H,(H,17,18)(H,19,20,21).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 10571376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).