N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide

C15H11N5OS — CID 21008804

IUPACN-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc2nsnc2c1
InChIInChI=1S/C15H11N5OS/c21-15(9-5-6-12-13(7-9)20-22-19-12)16-8-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,16,21)(H,17,18)
InChIKeyOTZRYLKLDGHCMJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.50
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide (PubChem CID 21008804) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
PubChem CID21008804
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)c1ccc2nsnc2c1
InChIInChI=1S/C15H11N5OS/c21-15(9-5-6-12-13(7-9)20-22-19-12)16-8-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,16,21)(H,17,18)
InChIKeyOTZRYLKLDGHCMJ-UHFFFAOYSA-N
XLogP2.50
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
2-anilino-N-(1H-benzimidazol-2-ylmethyl)-1,3-benzothiazole-6-carboxamide
CID 117093180
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-(1H-benzimidazol-2-ylmethyl)thiophene-2-carboxamide
CID 751095
N-(1H-benzimidazol-2-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18105228
N-(1H-benzimidazol-2-ylmethyl)-3-morpholin-4-ylbenzamide
CID 117088058
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide (CID 21008804) is N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide is O=C(NCc1nc2ccccc2[nH]1)c1ccc2nsnc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide?
The InChIKey is OTZRYLKLDGHCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c21-15(9-5-6-12-13(7-9)20-22-19-12)16-8-14-17-10-3-1-2-4-11(10)18-14/h1-7H,8H2,(H,16,21)(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2,1,3-benzothiadiazole-5-carboxamide is sourced from PubChem (CID 21008804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).