N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide

C16H12N4OS — CID 141151618

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccc2[nH]cnc12
InChIInChI=1S/C16H12N4OS/c21-16(10-4-3-6-12-15(10)19-9-18-12)17-8-14-20-11-5-1-2-7-13(11)22-14/h1-7,9H,8H2,(H,17,21)(H,18,19)
InChIKeyGZUNCVDSSXVKPQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.10
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide (PubChem CID 141151618) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide
PubChem CID141151618
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccc2[nH]cnc12
InChIInChI=1S/C16H12N4OS/c21-16(10-4-3-6-12-15(10)19-9-18-12)17-8-14-20-11-5-1-2-7-13(11)22-14/h1-7,9H,8H2,(H,17,21)(H,18,19)
InChIKeyGZUNCVDSSXVKPQ-UHFFFAOYSA-N
XLogP3.10
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-2-nitrobenzamide
CID 18110615
N-(1,3-benzothiazol-2-ylmethyl)-3-methyl-2-nitrobenzamide
CID 18110543
N-(1,3-benzothiazol-2-ylmethyl)-5-bromo-2-hydroxybenzamide
CID 43004261
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methylbenzamide
CID 31100846
N-(1,3-benzothiazol-2-ylmethyl)thiophene-2-carboxamide
CID 18110672
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
CID 18110803
N-[(4-methylsulfonylphenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 141151622
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiophene-2-carboxamide
CID 18110635
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-(1,3-benzothiazol-2-ylmethyl)-2-(2,6-dichlorophenyl)acetamide
CID 2557871
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxy-4-methoxybenzamide
CID 31100874

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide (CID 141151618) is N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide is O=C(NCc1nc2ccccc2s1)c1cccc2[nH]cnc12.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is GZUNCVDSSXVKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-16(10-4-3-6-12-15(10)19-9-18-12)17-8-14-20-11-5-1-2-7-13(11)22-14/h1-7,9H,8H2,(H,17,21)(H,18,19).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 141151618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).