5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]

C18H18N2S — CID 15669725

IUPAC5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]
SMILESc1ccc(Sc2ccc3c(c2)=NC2(CCCCC2)N=3)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-14(8-4-1)21-15-9-10-16-17(13-15)20-18(19-16)11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyYMTVVGIZHLAOLB-UHFFFAOYSA-N
MW294.42 g/mol
LogP3.75
Rot. Bonds2

About 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]

5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane] (PubChem CID 15669725) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane].

Molecular Properties

Compound Name5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]
PubChem CID15669725
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]
SMILESc1ccc(Sc2ccc3c(c2)=NC2(CCCCC2)N=3)cc1
InChIInChI=1S/C18H18N2S/c1-3-7-14(8-4-1)21-15-9-10-16-17(13-15)20-18(19-16)11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2
InChIKeyYMTVVGIZHLAOLB-UHFFFAOYSA-N
XLogP3.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]?
The IUPAC name of 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane] (CID 15669725) is 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane].
What is the SMILES notation for 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]?
The canonical SMILES for 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane] is c1ccc(Sc2ccc3c(c2)=NC2(CCCCC2)N=3)cc1.
What is the InChIKey of 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]?
The InChIKey is YMTVVGIZHLAOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-3-7-14(8-4-1)21-15-9-10-16-17(13-15)20-18(19-16)11-5-2-6-12-18/h1,3-4,7-10,13H,2,5-6,11-12H2.
What are the key properties of 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane]?
5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane] has a molecular weight of 294.42 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanylspiro[benzimidazole-2,1'-cyclohexane] is sourced from PubChem (CID 15669725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).