1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole

C22H20N2S — CID 39115837

IUPAC1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
SMILESC[C@@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2S/c1-17(19-12-6-3-7-13-19)25-22-23-20-14-8-9-15-21(20)24(22)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyDEAZATVJUMCYBT-QGZVFWFLSA-N
MW344.48 g/mol
LogP5.94
Rot. Bonds5

About 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole

1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole (PubChem CID 39115837) has the molecular formula C22H20N2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
PubChem CID39115837
Molecular FormulaC22H20N2S
Molecular Weight344.48 g/mol
Exact Mass344.13
IUPAC Name1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
SMILESC[C@@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C22H20N2S/c1-17(19-12-6-3-7-13-19)25-22-23-20-14-8-9-15-21(20)24(22)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3/t17-/m1/s1
InChIKeyDEAZATVJUMCYBT-QGZVFWFLSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.48
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
1-benzyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 23610017
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
4-benzyl-3-methyl-5-(1-phenylethylsulfanyl)-1,2,4-triazole
CID 78764056
1-benzyl-2-prop-2-enylsulfanylbenzimidazole
CID 46731894
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
CID 60586302
(1S)-1-(1-benzylbenzimidazol-2-yl)ethanol
CID 764782
[1-benzyl-2-[(1S)-1-phenylethyl]sulfanylimidazol-4-yl]methanol
CID 7621670
2-benzhydryl-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 16987223
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-ethyl-N-phenylacetamide
CID 46347454
6-[1-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 46658121

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole?
The IUPAC name of 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole (CID 39115837) is 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole.
What is the SMILES notation for 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole?
The canonical SMILES for 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole is C[C@@H](Sc1nc2ccccc2n1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole?
The InChIKey is DEAZATVJUMCYBT-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20N2S/c1-17(19-12-6-3-7-13-19)25-22-23-20-14-8-9-15-21(20)24(22)16-18-10-4-2-5-11-18/h2-15,17H,16H2,1H3/t17-/m1/s1.
What are the key properties of 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole?
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole has a molecular weight of 344.48 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole is sourced from PubChem (CID 39115837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).