6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole

C15H18N4OS — CID 71712914

IUPAC6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole
SMILESCCOc1ccc2nc(SCCn3ccnc3)n(C)c2c1
InChIInChI=1S/C15H18N4OS/c1-3-20-12-4-5-13-14(10-12)18(2)15(17-13)21-9-8-19-7-6-16-11-19/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyZFTZIQDYSRRREQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.96
Rot. Bonds6

About 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole

6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole (PubChem CID 71712914) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole
PubChem CID71712914
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole
SMILESCCOc1ccc2nc(SCCn3ccnc3)n(C)c2c1
InChIInChI=1S/C15H18N4OS/c1-3-20-12-4-5-13-14(10-12)18(2)15(17-13)21-9-8-19-7-6-16-11-19/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyZFTZIQDYSRRREQ-UHFFFAOYSA-N
XLogP2.96
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole?
The IUPAC name of 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole (CID 71712914) is 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole.
What is the SMILES notation for 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole?
The canonical SMILES for 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole is CCOc1ccc2nc(SCCn3ccnc3)n(C)c2c1.
What is the InChIKey of 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole?
The InChIKey is ZFTZIQDYSRRREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-20-12-4-5-13-14(10-12)18(2)15(17-13)21-9-8-19-7-6-16-11-19/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole?
6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole has a molecular weight of 302.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-(2-imidazol-1-ylethylsulfanyl)-1-methylbenzimidazole is sourced from PubChem (CID 71712914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).