2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

C16H15N5S2 — CID 1248883

IUPAC2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
SMILESCn1c(Cc2cccs2)nnc1SCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N5S2/c1-21-15(9-11-5-4-8-22-11)19-20-16(21)23-10-14-17-12-6-2-3-7-13(12)18-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyOTGIDOHOKJPIJA-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.64
Rot. Bonds5

About 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole

2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole (PubChem CID 1248883) has the molecular formula C16H15N5S2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
PubChem CID1248883
Molecular FormulaC16H15N5S2
Molecular Weight341.46 g/mol
Exact Mass341.08
IUPAC Name2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole
SMILESCn1c(Cc2cccs2)nnc1SCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H15N5S2/c1-21-15(9-11-5-4-8-22-11)19-20-16(21)23-10-14-17-12-6-2-3-7-13(12)18-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyOTGIDOHOKJPIJA-UHFFFAOYSA-N
XLogP3.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole with MolForge

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Related Compounds

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CID 5430
2-(5-Methyl-2-thienyl)-1H-benzimidazole
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FR117016
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1-Methyl-2-thiophen-2-ylbenzimidazole
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2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzothiazole
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1H-Benzimidazol-2-ylmethyl 4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL sulfide
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2-[(1-ethyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-(5-methylthiophen-2-yl)methylidene]acetohydrazide
CID 9558557
1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
CID 2866315
1H-Benzimidazole, 2-(2-thienylmethyl)-
CID 2359676
N-(1H-Benzoimidazol-2-yl)-N'-thiophen-2-ylmethylene-hydrazine
CID 5335835

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole (CID 1248883) is 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole is Cn1c(Cc2cccs2)nnc1SCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
The InChIKey is OTGIDOHOKJPIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S2/c1-21-15(9-11-5-4-8-22-11)19-20-16(21)23-10-14-17-12-6-2-3-7-13(12)18-14/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole?
2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole has a molecular weight of 341.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-benzimidazole is sourced from PubChem (CID 1248883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).