2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone

C16H14N2OS — CID 3710344

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)15(19)10-20-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBPVRPBBHENIHEY-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.85
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone

2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone (PubChem CID 3710344) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone
PubChem CID3710344
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)15(19)10-20-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyBPVRPBBHENIHEY-UHFFFAOYSA-N
XLogP3.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone 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-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone (CID 3710344) is 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone?
The InChIKey is BPVRPBBHENIHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-6-8-12(9-7-11)15(19)10-20-16-17-13-4-2-3-5-14(13)18-16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone?
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone has a molecular weight of 282.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 3710344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).