1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole

C24H22N4O2S — CID 2772934

IUPAC1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESCOc1ccc(OCCn2c3ccccc3n3c(SCc4ccccc4)nnc23)cc1
InChIInChI=1S/C24H22N4O2S/c1-29-19-11-13-20(14-12-19)30-16-15-27-21-9-5-6-10-22(21)28-23(27)25-26-24(28)31-17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyVYEIUBQEMAXTOF-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.06
Rot. Bonds8

About 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole

1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole (PubChem CID 2772934) has the molecular formula C24H22N4O2S and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole.

Molecular Properties

Compound Name1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole
PubChem CID2772934
Molecular FormulaC24H22N4O2S
Molecular Weight430.53 g/mol
Exact Mass430.15
IUPAC Name1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole
SMILESCOc1ccc(OCCn2c3ccccc3n3c(SCc4ccccc4)nnc23)cc1
InChIInChI=1S/C24H22N4O2S/c1-29-19-11-13-20(14-12-19)30-16-15-27-21-9-5-6-10-22(21)28-23(27)25-26-24(28)31-17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3
InChIKeyVYEIUBQEMAXTOF-UHFFFAOYSA-N
XLogP5.06
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]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

1-[2-(4-methoxyphenoxy)ethylsulfanyl]-4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773025
1-benzylsulfanyl-4-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 24573522
4-ethyl-1-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21226813
1-benzylsulfanyl-4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773030
3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazole
CID 2436171
1-[(4-fluorophenyl)methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21226819
3-benzylsulfanyl-5-cyclopropyl-4-(4-methoxyphenyl)-1,2,4-triazole
CID 42799246
1-(2-phenoxyethylsulfanyl)-4-propan-2-yl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773019
1-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-4-methyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 2773107
N-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-4-methoxyaniline
CID 865441
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
3-benzylsulfanyl-4-(4-methoxyphenyl)-5-propan-2-yl-1,2,4-triazole
CID 24718777

Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole?
The IUPAC name of 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole (CID 2772934) is 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole.
What is the SMILES notation for 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole?
The canonical SMILES for 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole is COc1ccc(OCCn2c3ccccc3n3c(SCc4ccccc4)nnc23)cc1.
What is the InChIKey of 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole?
The InChIKey is VYEIUBQEMAXTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2S/c1-29-19-11-13-20(14-12-19)30-16-15-27-21-9-5-6-10-22(21)28-23(27)25-26-24(28)31-17-18-7-3-2-4-8-18/h2-14H,15-17H2,1H3.
What are the key properties of 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole?
1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole has a molecular weight of 430.53 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfanyl-4-[2-(4-methoxyphenoxy)ethyl]-[1,2,4]triazolo[4,3-a]benzimidazole is sourced from PubChem (CID 2772934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).