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

C16H20N6S — CID 133423864

IUPAC5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C16H20N6S/c1-2-14-19-16(23-20-14)22-9-7-21(8-10-22)11-15-17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-11H2,1H3,(H,17,18)
InChIKeyNLVQIVRNGJTYTM-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.30
Rot. Bonds4

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

5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (PubChem CID 133423864) has the molecular formula C16H20N6S and a molecular weight of 328.44 g/mol. Its IUPAC name is 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
PubChem CID133423864
Molecular FormulaC16H20N6S
Molecular Weight328.44 g/mol
Exact Mass328.15
IUPAC Name5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1
InChIInChI=1S/C16H20N6S/c1-2-14-19-16(23-20-14)22-9-7-21(8-10-22)11-15-17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-11H2,1H3,(H,17,18)
InChIKeyNLVQIVRNGJTYTM-UHFFFAOYSA-N
XLogP2.30
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
2-[[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11738728
3-ethyl-5-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1,2,4-thiadiazole
CID 133328698
2-[[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 75438688
2-[(4-pyridin-3-ylpiperazin-1-yl)methyl]-1H-benzimidazole
CID 11300847
4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine;hydrochloride
CID 2971877
2-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 11289781
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
2-[[4-[(1R)-1-phenylethyl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 51697276
2-[[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]methyl]-1H-benzimidazole
CID 126891986
3-ethyl-5-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-thiadiazole
CID 166199012

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole (CID 133423864) is 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1.
What is the InChIKey of 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
The InChIKey is NLVQIVRNGJTYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6S/c1-2-14-19-16(23-20-14)22-9-7-21(8-10-22)11-15-17-12-5-3-4-6-13(12)18-15/h3-6H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole?
5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole has a molecular weight of 328.44 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 133423864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).