2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone

C21H18N2OS2 — CID 3548263

IUPAC2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1nc2ccccc2n1CCc1ccccc1)c1cccs1
InChIInChI=1S/C21H18N2OS2/c24-19(20-11-6-14-25-20)15-26-21-22-17-9-4-5-10-18(17)23(21)13-12-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2
InChIKeyYVCHEUNHPRVMAX-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.32
Rot. Bonds7

About 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone

2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone (PubChem CID 3548263) has the molecular formula C21H18N2OS2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
PubChem CID3548263
Molecular FormulaC21H18N2OS2
Molecular Weight378.52 g/mol
Exact Mass378.09
IUPAC Name2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone
SMILESO=C(CSc1nc2ccccc2n1CCc1ccccc1)c1cccs1
InChIInChI=1S/C21H18N2OS2/c24-19(20-11-6-14-25-20)15-26-21-22-17-9-4-5-10-18(17)23(21)13-12-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2
InChIKeyYVCHEUNHPRVMAX-UHFFFAOYSA-N
XLogP5.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
The IUPAC name of 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone (CID 3548263) is 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone is O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1cccs1.
What is the InChIKey of 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
The InChIKey is YVCHEUNHPRVMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS2/c24-19(20-11-6-14-25-20)15-26-21-22-17-9-4-5-10-18(17)23(21)13-12-16-7-2-1-3-8-16/h1-11,14H,12-13,15H2.
What are the key properties of 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone?
2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone has a molecular weight of 378.52 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanyl-1-thiophen-2-ylethanone is sourced from PubChem (CID 3548263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).