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

C15H13N5S2 — CID 663327

IUPAC2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
SMILESCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1
InChIInChI=1S/C15H13N5S2/c1-20-14(12-7-4-8-21-12)18-19-15(20)22-9-13-16-10-5-2-3-6-11(10)17-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyNDBKTUCETVBCBZ-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.71
Rot. Bonds4

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

2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole (PubChem CID 663327) has the molecular formula C15H13N5S2 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
PubChem CID663327
Molecular FormulaC15H13N5S2
Molecular Weight327.44 g/mol
Exact Mass327.06
IUPAC Name2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
SMILESCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1
InChIInChI=1S/C15H13N5S2/c1-20-14(12-7-4-8-21-12)18-19-15(20)22-9-13-16-10-5-2-3-6-11(10)17-13/h2-8H,9H2,1H3,(H,16,17)
InChIKeyNDBKTUCETVBCBZ-UHFFFAOYSA-N
XLogP3.71
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-5-thiophen-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-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole (CID 663327) is 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1.
What is the InChIKey of 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The InChIKey is NDBKTUCETVBCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5S2/c1-20-14(12-7-4-8-21-12)18-19-15(20)22-9-13-16-10-5-2-3-6-11(10)17-13/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole has a molecular weight of 327.44 g/mol, XLogP of 3.71, 4 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-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is sourced from PubChem (CID 663327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).