3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole

C17H15N5S — CID 164861541

IUPAC3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole
SMILESCCc1nsnc1-c1nc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C17H15N5S/c1-2-13-16(21-23-20-13)17-19-14-7-3-4-8-15(14)22(17)11-12-6-5-9-18-10-12/h3-10H,2,11H2,1H3
InChIKeyWDMXQMMJSXKUSC-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.56
Rot. Bonds4

About 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole

3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole (PubChem CID 164861541) has the molecular formula C17H15N5S and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole
PubChem CID164861541
Molecular FormulaC17H15N5S
Molecular Weight321.41 g/mol
Exact Mass321.10
IUPAC Name3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole
SMILESCCc1nsnc1-c1nc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C17H15N5S/c1-2-13-16(21-23-20-13)17-19-14-7-3-4-8-15(14)22(17)11-12-6-5-9-18-10-12/h3-10H,2,11H2,1H3
InChIKeyWDMXQMMJSXKUSC-UHFFFAOYSA-N
XLogP3.56
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861414
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
2-(1-ethylbenzimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976202
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
1-ethyl-2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 97013821
4-[4-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-5-methylthiadiazole
CID 164861468
4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861472
4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
2-pyridin-3-yl-1-undecylbenzimidazole
CID 18878842
(1S)-1-(1-methylbenzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28671585
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole?
The IUPAC name of 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole (CID 164861541) is 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole?
The canonical SMILES for 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole is CCc1nsnc1-c1nc2ccccc2n1Cc1cccnc1.
What is the InChIKey of 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole?
The InChIKey is WDMXQMMJSXKUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5S/c1-2-13-16(21-23-20-13)17-19-14-7-3-4-8-15(14)22(17)11-12-6-5-9-18-10-12/h3-10H,2,11H2,1H3.
What are the key properties of 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole?
3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole has a molecular weight of 321.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole is sourced from PubChem (CID 164861541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).