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

C24H24N2OS2 — CID 173285407

IUPAC2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccccc1CCSc1cccc(CSc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C24H24N2OS2/c1-17-19(16-29-24-25-20-10-4-5-11-21(20)26-24)9-7-13-23(17)28-15-14-18-8-3-6-12-22(18)27-2/h3-13H,14-16H2,1-2H3,(H,25,26)
InChIKeyFJQSWAZXPHGCIT-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.51
Rot. Bonds8

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

2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole (PubChem CID 173285407) has the molecular formula C24H24N2OS2 and a molecular weight of 420.60 g/mol. Its IUPAC name is 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
PubChem CID173285407
Molecular FormulaC24H24N2OS2
Molecular Weight420.60 g/mol
Exact Mass420.13
IUPAC Name2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccccc1CCSc1cccc(CSc2nc3ccccc3[nH]2)c1C
InChIInChI=1S/C24H24N2OS2/c1-17-19(16-29-24-25-20-10-4-5-11-21(20)26-24)9-7-13-23(17)28-15-14-18-8-3-6-12-22(18)27-2/h3-13H,14-16H2,1-2H3,(H,25,26)
InChIKeyFJQSWAZXPHGCIT-UHFFFAOYSA-N
XLogP6.51
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 7756067
S-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl] carbamothioate
CID 142063324
1,3-dihydrobenzimidazole-2-thione;methyl 2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylacetate
CID 70244533
8-(1H-benzimidazol-2-ylsulfanylmethyl)-4-methoxyquinoline
CID 19866676
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
N-[2-[3-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methylphenyl]sulfanylethyl]quinoline-8-sulfonamide
CID 11114047
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-[(2,3-difluorophenyl)methylsulfanyl]-1H-benzimidazole
CID 40739070
2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
5-(1H-benzimidazol-2-ylsulfanylmethyl)-2-methoxyaniline
CID 28550566
2-[(4-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 14578637

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole (CID 173285407) is 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole is COc1ccccc1CCSc1cccc(CSc2nc3ccccc3[nH]2)c1C.
What is the InChIKey of 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
The InChIKey is FJQSWAZXPHGCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2OS2/c1-17-19(16-29-24-25-20-10-4-5-11-21(20)26-24)9-7-13-23(17)28-15-14-18-8-3-6-12-22(18)27-2/h3-13H,14-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole?
2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole has a molecular weight of 420.60 g/mol, XLogP of 6.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(2-methoxyphenyl)ethylsulfanyl]-2-methylphenyl]methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 173285407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).