2-methylsulfanyl-4,5-diphenyl-1H-imidazole

C16H14N2S — CID 900954

IUPAC2-methylsulfanyl-4,5-diphenyl-1H-imidazole
SMILESCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H14N2S/c1-19-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyFKYCCFMGPGRPID-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.47
Rot. Bonds3

About 2-methylsulfanyl-4,5-diphenyl-1H-imidazole

2-methylsulfanyl-4,5-diphenyl-1H-imidazole (PubChem CID 900954) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methylsulfanyl-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-methylsulfanyl-4,5-diphenyl-1H-imidazole
PubChem CID900954
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-methylsulfanyl-4,5-diphenyl-1H-imidazole
SMILESCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C16H14N2S/c1-19-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18)
InChIKeyFKYCCFMGPGRPID-UHFFFAOYSA-N
XLogP4.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-methylsulfanyl-4,5-diphenyl-1H-imidazole (CID 900954) is 2-methylsulfanyl-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-methylsulfanyl-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-methylsulfanyl-4,5-diphenyl-1H-imidazole is CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-methylsulfanyl-4,5-diphenyl-1H-imidazole?
The InChIKey is FKYCCFMGPGRPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-19-16-17-14(12-8-4-2-5-9-12)15(18-16)13-10-6-3-7-11-13/h2-11H,1H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-4,5-diphenyl-1H-imidazole?
2-methylsulfanyl-4,5-diphenyl-1H-imidazole has a molecular weight of 266.37 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 900954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).