2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole

C23H26N6S — CID 155518726

IUPAC2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole
SMILESc1ccc(CN2CCC(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)CC2)cc1
InChIInChI=1S/C23H26N6S/c1-2-6-18(7-3-1)14-28-12-10-19(11-13-28)15-29-16-20(26-27-29)17-30-23-24-21-8-4-5-9-22(21)25-23/h1-9,16,19H,10-15,17H2,(H,24,25)
InChIKeyPPCLZSQPGRUGBH-UHFFFAOYSA-N
MW418.57 g/mol
LogP4.36
Rot. Bonds7

About 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole

2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole (PubChem CID 155518726) has the molecular formula C23H26N6S and a molecular weight of 418.57 g/mol. Its IUPAC name is 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole
PubChem CID155518726
Molecular FormulaC23H26N6S
Molecular Weight418.57 g/mol
Exact Mass418.19
IUPAC Name2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole
SMILESc1ccc(CN2CCC(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)CC2)cc1
InChIInChI=1S/C23H26N6S/c1-2-6-18(7-3-1)14-28-12-10-19(11-13-28)15-29-16-20(26-27-29)17-30-23-24-21-8-4-5-9-22(21)25-23/h1-9,16,19H,10-15,17H2,(H,24,25)
InChIKeyPPCLZSQPGRUGBH-UHFFFAOYSA-N
XLogP4.36
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-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

Related Compounds

2-[[4-(1-benzylpiperidin-4-yl)sulfanyl-3-methyl-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;hydrate;hydrochloride
CID 19963105
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-(1H-benzimidazol-2-yl)-2-(1-benzylpiperidin-4-yl)ethanamine
CID 83975997
[1-[[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 29024208
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55991837
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
2-(2-phenylethylsulfanyl)-1H-benzimidazole;hydrobromide
CID 134106203
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
2-[(4-benzylsulfanyl-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 54362469
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-[[4-[3-(4-benzylpiperazin-1-yl)propylsulfanyl]-3-methoxy-2-pyridinyl]methylsulfanyl]-1H-benzimidazole;trihydrochloride
CID 86754202

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole (CID 155518726) is 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole is c1ccc(CN2CCC(Cn3cc(CSc4nc5ccccc5[nH]4)nn3)CC2)cc1.
What is the InChIKey of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole?
The InChIKey is PPCLZSQPGRUGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6S/c1-2-6-18(7-3-1)14-28-12-10-19(11-13-28)15-29-16-20(26-27-29)17-30-23-24-21-8-4-5-9-22(21)25-23/h1-9,16,19H,10-15,17H2,(H,24,25).
What are the key properties of 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole?
2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole has a molecular weight of 418.57 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-benzylpiperidin-4-yl)methyl]triazol-4-yl]methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 155518726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).