2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide

C18H17N5O2S — CID 16672899

IUPAC2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide
SMILESCCc1nc2cc(NC(=O)COc3ccc4nsnc4c3)ccc2n1C
InChIInChI=1S/C18H17N5O2S/c1-3-17-20-15-8-11(4-7-16(15)23(17)2)19-18(24)10-25-12-5-6-13-14(9-12)22-26-21-13/h4-9H,3,10H2,1-2H3,(H,19,24)
InChIKeyIYBDGOUQSDSZHN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.16
Rot. Bonds5

About 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide

2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide (PubChem CID 16672899) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide
PubChem CID16672899
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide
SMILESCCc1nc2cc(NC(=O)COc3ccc4nsnc4c3)ccc2n1C
InChIInChI=1S/C18H17N5O2S/c1-3-17-20-15-8-11(4-7-16(15)23(17)2)19-18(24)10-25-12-5-6-13-14(9-12)22-26-21-13/h4-9H,3,10H2,1-2H3,(H,19,24)
InChIKeyIYBDGOUQSDSZHN-UHFFFAOYSA-N
XLogP3.16
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 46964448
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611156
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methoxyphenoxy)acetamide;hydrochloride
CID 16682075
N-[2-[2-(4-benzoylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 4888420
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
2-(4-chlorophenoxy)-N-[1-methyl-2-(2-morpholin-4-ylethyl)benzimidazol-5-yl]acetamide
CID 666438
N-[2-[1-methyl-5-[[2-(4-methylphenoxy)acetyl]amino]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 46270460
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 23611197
N-(2-ethyl-1-methylbenzimidazol-5-yl)-4-pyridin-4-ylbutanamide
CID 46964209
N-[1-methyl-2-(pyrrolidin-1-ium-1-ylmethyl)benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 7008738
N-(2-ethyl-1-methylbenzimidazol-5-yl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 46964217
N-[1-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]benzimidazol-5-yl]-2-(4-nitrophenoxy)acetamide
CID 4888498

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide (CID 16672899) is 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide is CCc1nc2cc(NC(=O)COc3ccc4nsnc4c3)ccc2n1C.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide?
The InChIKey is IYBDGOUQSDSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-3-17-20-15-8-11(4-7-16(15)23(17)2)19-18(24)10-25-12-5-6-13-14(9-12)22-26-21-13/h4-9H,3,10H2,1-2H3,(H,19,24).
What are the key properties of 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide?
2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide has a molecular weight of 367.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-5-yloxy)-N-(2-ethyl-1-methylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 16672899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).