2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole

C22H28N2O3S2 — CID 10342784

IUPAC2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
SMILESCOCCOCCOCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C22H28N2O3S2/c1-17-18(16-29-22-23-19-7-3-4-8-20(19)24-22)6-5-9-21(17)28-15-14-27-13-12-26-11-10-25-2/h3-9H,10-16H2,1-2H3,(H,23,24)
InChIKeyBMCJSNFNOXKQHG-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.94
Rot. Bonds13

About 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole

2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole (PubChem CID 10342784) has the molecular formula C22H28N2O3S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
PubChem CID10342784
Molecular FormulaC22H28N2O3S2
Molecular Weight432.61 g/mol
Exact Mass432.15
IUPAC Name2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
SMILESCOCCOCCOCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C22H28N2O3S2/c1-17-18(16-29-22-23-19-7-3-4-8-20(19)24-22)6-5-9-21(17)28-15-14-27-13-12-26-11-10-25-2/h3-9H,10-16H2,1-2H3,(H,23,24)
InChIKeyBMCJSNFNOXKQHG-UHFFFAOYSA-N
XLogP4.94
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]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-{2-[(3,4-dimethylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 773571
4-(1H-benzimidazol-2-ylsulfanyl)benzene-1,2-dicarbonitrile
CID 672446
2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl N-[4-(dimethylamino)phenyl]carbamate
CID 9826993
2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanyl-1-piperidin-1-ylethanone
CID 9931449
1-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]-3-phenylurea
CID 9933385
2-[[3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
CID 10481800
2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl N-(3,4-difluorophenyl)carbamate
CID 10885389
2-{[(2-methylbenzyl)sulfanyl]methyl}-1H-benzimidazole
CID 954580
N-(1H-benzimidazol-2-yl)-2-naphthalen-2-ylsulfanylacetamide
CID 2352248
2-[(2-phenylethyl)sulfanyl]-1H-1,3-benzodiazole
CID 752037
2-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1H-benzimidazole
CID 145966731
4-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]morpholine
CID 9865688

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole (CID 10342784) is 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole is COCCOCCOCCSc1cccc(CSc2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
The InChIKey is BMCJSNFNOXKQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S2/c1-17-18(16-29-22-23-19-7-3-4-8-20(19)24-22)6-5-9-21(17)28-15-14-27-13-12-26-11-10-25-2/h3-9H,10-16H2,1-2H3,(H,23,24).
What are the key properties of 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole has a molecular weight of 432.61 g/mol, XLogP of 4.94, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 10342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).