2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole

C21H18N2S — CID 3729841

IUPAC2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
SMILESCC(Sc1ccccc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H18N2S/c1-16(24-18-12-6-3-7-13-18)23-20-15-9-8-14-19(20)22-21(23)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyCWWIEUGZBYTZQD-UHFFFAOYSA-N
MW330.46 g/mol
LogP6.01
Rot. Bonds4

About 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole

2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole (PubChem CID 3729841) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole.

Molecular Properties

Compound Name2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
PubChem CID3729841
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC Name2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole
SMILESCC(Sc1ccccc1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H18N2S/c1-16(24-18-12-6-3-7-13-18)23-20-15-9-8-14-19(20)22-21(23)17-10-4-2-5-11-17/h2-16H,1H3
InChIKeyCWWIEUGZBYTZQD-UHFFFAOYSA-N
XLogP6.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole?
The IUPAC name of 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole (CID 3729841) is 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole.
What is the SMILES notation for 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole?
The canonical SMILES for 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole is CC(Sc1ccccc1)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole?
The InChIKey is CWWIEUGZBYTZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-16(24-18-12-6-3-7-13-18)23-20-15-9-8-14-19(20)22-21(23)17-10-4-2-5-11-17/h2-16H,1H3.
What are the key properties of 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole?
2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole has a molecular weight of 330.46 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(1-phenylsulfanylethyl)benzimidazole is sourced from PubChem (CID 3729841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).