1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione

C17H18N2S — CID 510030

IUPAC1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione
SMILESCCn1c(=S)n(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2S/c1-2-18-15-10-6-7-11-16(15)19(17(18)20)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyGNEDVPFQDGSEGD-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.43
Rot. Bonds4

About 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione

1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione (PubChem CID 510030) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione.

Molecular Properties

Compound Name1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione
PubChem CID510030
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione
SMILESCCn1c(=S)n(CCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H18N2S/c1-2-18-15-10-6-7-11-16(15)19(17(18)20)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyGNEDVPFQDGSEGD-UHFFFAOYSA-N
XLogP4.43
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione?
The IUPAC name of 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione (CID 510030) is 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione.
What is the SMILES notation for 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione?
The canonical SMILES for 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione is CCn1c(=S)n(CCc2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione?
The InChIKey is GNEDVPFQDGSEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-2-18-15-10-6-7-11-16(15)19(17(18)20)13-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione?
1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione has a molecular weight of 282.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-phenylethyl)benzimidazole-2-thione is sourced from PubChem (CID 510030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).