2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole

C15H14N2S — CID 22024192

IUPAC2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(Sc2ccccc2C2=NCCN2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)15-16-10-11-17-15/h1-9H,10-11H2,(H,16,17)
InChIKeyISAUNROZGRXNRM-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole

2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 22024192) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID22024192
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc(Sc2ccccc2C2=NCCN2)cc1
InChIInChI=1S/C15H14N2S/c1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)15-16-10-11-17-15/h1-9H,10-11H2,(H,16,17)
InChIKeyISAUNROZGRXNRM-UHFFFAOYSA-N
XLogP3.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole (CID 22024192) is 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole is c1ccc(Sc2ccccc2C2=NCCN2)cc1.
What is the InChIKey of 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ISAUNROZGRXNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-2-6-12(7-3-1)18-14-9-5-4-8-13(14)15-16-10-11-17-15/h1-9H,10-11H2,(H,16,17).
What are the key properties of 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole?
2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 254.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylsulfanylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 22024192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).