2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole

C16H15N7S — CID 663374

IUPAC2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
SMILESCCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1
InChIInChI=1S/C16H15N7S/c1-2-23-15(13-9-17-7-8-18-13)21-22-16(23)24-10-14-19-11-5-3-4-6-12(11)20-14/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyPSJFJLXKGMVIQE-UHFFFAOYSA-N
MW337.41 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole

2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole (PubChem CID 663374) has the molecular formula C16H15N7S and a molecular weight of 337.41 g/mol. Its IUPAC name is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
PubChem CID663374
Molecular FormulaC16H15N7S
Molecular Weight337.41 g/mol
Exact Mass337.11
IUPAC Name2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
SMILESCCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1
InChIInChI=1S/C16H15N7S/c1-2-23-15(13-9-17-7-8-18-13)21-22-16(23)24-10-14-19-11-5-3-4-6-12(11)20-14/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyPSJFJLXKGMVIQE-UHFFFAOYSA-N
XLogP2.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole (CID 663374) is 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1.
What is the InChIKey of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The InChIKey is PSJFJLXKGMVIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7S/c1-2-23-15(13-9-17-7-8-18-13)21-22-16(23)24-10-14-19-11-5-3-4-6-12(11)20-14/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole has a molecular weight of 337.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is sourced from PubChem (CID 663374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).