2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

C16H16N2S — CID 17459137

IUPAC2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(-c2ccc(CSC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H16N2S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-19-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
InChIKeyIAZKQULZXDAQOV-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.55
Rot. Bonds3

About 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole

2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (PubChem CID 17459137) has the molecular formula C16H16N2S and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
PubChem CID17459137
Molecular FormulaC16H16N2S
Molecular Weight268.39 g/mol
Exact Mass268.10
IUPAC Name2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(-c2ccc(CSC3=NCCN3)cc2)cc1
InChIInChI=1S/C16H16N2S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-19-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
InChIKeyIAZKQULZXDAQOV-UHFFFAOYSA-N
XLogP3.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole (CID 17459137) is 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is c1ccc(-c2ccc(CSC3=NCCN3)cc2)cc1.
What is the InChIKey of 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
The InChIKey is IAZKQULZXDAQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-19-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18).
What are the key properties of 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole?
2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole has a molecular weight of 268.39 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)methylsulfanyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 17459137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).