6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole

C22H20N2O2S — CID 56954137

IUPAC6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C22H20N2O2S/c1-25-19-11-12-20-21(13-19)24-22(23-20)27-15-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyKUIKUTZPAAIPGN-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.44
Rot. Bonds7

About 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole

6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole (PubChem CID 56954137) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole
PubChem CID56954137
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole
SMILESCOc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C22H20N2O2S/c1-25-19-11-12-20-21(13-19)24-22(23-20)27-15-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,23,24)
InChIKeyKUIKUTZPAAIPGN-UHFFFAOYSA-N
XLogP5.44
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole (CID 56954137) is 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole is COc1ccc2nc(SCc3ccc(OCc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
The InChIKey is KUIKUTZPAAIPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-25-19-11-12-20-21(13-19)24-22(23-20)27-15-17-7-9-18(10-8-17)26-14-16-5-3-2-4-6-16/h2-13H,14-15H2,1H3,(H,23,24).
What are the key properties of 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole?
6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole has a molecular weight of 376.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-phenylmethoxyphenyl)methylsulfanyl]-1H-benzimidazole is sourced from PubChem (CID 56954137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).