2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole

C19H19N5S — CID 71917032

IUPAC2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
SMILESCc1ccccc1-n1cnnc1SCCn1c(C)nc2ccccc21
InChIInChI=1S/C19H19N5S/c1-14-7-3-5-9-17(14)24-13-20-22-19(24)25-12-11-23-15(2)21-16-8-4-6-10-18(16)23/h3-10,13H,11-12H2,1-2H3
InChIKeyUEKNXWCJTSYJLK-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.03
Rot. Bonds5

About 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole

2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole (PubChem CID 71917032) has the molecular formula C19H19N5S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
PubChem CID71917032
Molecular FormulaC19H19N5S
Molecular Weight349.46 g/mol
Exact Mass349.14
IUPAC Name2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
SMILESCc1ccccc1-n1cnnc1SCCn1c(C)nc2ccccc21
InChIInChI=1S/C19H19N5S/c1-14-7-3-5-9-17(14)24-13-20-22-19(24)25-12-11-23-15(2)21-16-8-4-6-10-18(16)23/h3-10,13H,11-12H2,1-2H3
InChIKeyUEKNXWCJTSYJLK-UHFFFAOYSA-N
XLogP4.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydroxy-2-(1-methylbenzimidazol-2-yl)-4-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-enenitrile
CID 137103733
4-(2-methylphenyl)-3-(2-phenoxyethylsulfanyl)-1,2,4-triazole
CID 84603816
3-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]imidazolidine-2,4-dione
CID 38895633
3-methyl-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]quinazolin-4-one
CID 35424047
4-(2-methylphenyl)-3-(2-naphthalen-2-yloxyethylsulfanyl)-1,2,4-triazole
CID 46410896
3-[2-(4-ethoxyphenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
CID 112778095
3-[2-(4-fluorophenoxy)ethylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
CID 112778089
1-methyl-2-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidine
CID 112778093
1-(difluoromethyl)-2-[(1R)-1-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole
CID 51929269
2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 33440574
2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 84603821
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The IUPAC name of 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole (CID 71917032) is 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole is Cc1ccccc1-n1cnnc1SCCn1c(C)nc2ccccc21.
What is the InChIKey of 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
The InChIKey is UEKNXWCJTSYJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5S/c1-14-7-3-5-9-17(14)24-13-20-22-19(24)25-12-11-23-15(2)21-16-8-4-6-10-18(16)23/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole?
2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole has a molecular weight of 349.46 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]benzimidazole is sourced from PubChem (CID 71917032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).