1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone

C18H18N2OS — CID 5225374

IUPAC1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
SMILESCSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2OS/c1-22-18-19-11-12-20(18)17(21)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyFCKHCVPDOSUATA-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone

1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone (PubChem CID 5225374) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
PubChem CID5225374
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone
SMILESCSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H18N2OS/c1-22-18-19-11-12-20(18)17(21)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3
InChIKeyFCKHCVPDOSUATA-UHFFFAOYSA-N
XLogP3.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone (CID 5225374) is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone is CSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
The InChIKey is FCKHCVPDOSUATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-22-18-19-11-12-20(18)17(21)13-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10H,11-13H2,1H3.
What are the key properties of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone?
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone has a molecular weight of 310.42 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 5225374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).