2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole

C15H14N2OS — CID 13166633

IUPAC2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole
SMILESCOCc1nc2ccc(Sc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H14N2OS/c1-18-10-15-16-13-8-7-12(9-14(13)17-15)19-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCFQMARFZCOQJMH-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.86
Rot. Bonds4

About 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole

2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole (PubChem CID 13166633) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole
PubChem CID13166633
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole
SMILESCOCc1nc2ccc(Sc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H14N2OS/c1-18-10-15-16-13-8-7-12(9-14(13)17-15)19-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17)
InChIKeyCFQMARFZCOQJMH-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole?
The IUPAC name of 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole (CID 13166633) is 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole.
What is the SMILES notation for 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole?
The canonical SMILES for 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole is COCc1nc2ccc(Sc3ccccc3)cc2[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole?
The InChIKey is CFQMARFZCOQJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-18-10-15-16-13-8-7-12(9-14(13)17-15)19-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,17).
What are the key properties of 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole?
2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole has a molecular weight of 270.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-phenylsulfanyl-1H-benzimidazole is sourced from PubChem (CID 13166633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).