6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole

C16H16N2OS — CID 112775399

IUPAC6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
SMILESCOc1ccc2nc(SC(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c1-11(12-6-4-3-5-7-12)20-16-17-14-9-8-13(19-2)10-15(14)18-16/h3-11H,1-2H3,(H,17,18)
InChIKeyUEVDSQDMKVTICO-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.42
Rot. Bonds4

About 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole

6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole (PubChem CID 112775399) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
PubChem CID112775399
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole
SMILESCOc1ccc2nc(SC(C)c3ccccc3)[nH]c2c1
InChIInChI=1S/C16H16N2OS/c1-11(12-6-4-3-5-7-12)20-16-17-14-9-8-13(19-2)10-15(14)18-16/h3-11H,1-2H3,(H,17,18)
InChIKeyUEVDSQDMKVTICO-UHFFFAOYSA-N
XLogP4.42
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanyl-6-methoxy-1H-benzimidazole
CID 7225600
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42985395
5-[(1S)-1-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 25417374
(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 40511290
6-methoxy-2-propylsulfanyl-1H-benzimidazole
CID 2650025
N'-hydroxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanimidamide
CID 76915209
(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 7152425
2-[1-[4-(difluoromethoxy)phenyl]ethylsulfanyl]-1H-benzimidazole
CID 60585452
(1R)-1-[4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63812775
6-methoxy-2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752045
(2S)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 40829927
[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanol
CID 63813247

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole (CID 112775399) is 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole is COc1ccc2nc(SC(C)c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole?
The InChIKey is UEVDSQDMKVTICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11(12-6-4-3-5-7-12)20-16-17-14-9-8-13(19-2)10-15(14)18-16/h3-11H,1-2H3,(H,17,18).
What are the key properties of 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole?
6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole has a molecular weight of 284.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(1-phenylethylsulfanyl)-1H-benzimidazole is sourced from PubChem (CID 112775399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).