1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone

C18H16N2OS — CID 4297783

IUPAC1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2OS/c1-14-7-9-15(10-8-14)17(21)13-22-18-19-11-12-20(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyBVTQVXKWNPSFEE-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.16
Rot. Bonds5

About 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone

1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (PubChem CID 4297783) has the molecular formula C18H16N2OS and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
PubChem CID4297783
Molecular FormulaC18H16N2OS
Molecular Weight308.41 g/mol
Exact Mass308.10
IUPAC Name1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N2OS/c1-14-7-9-15(10-8-14)17(21)13-22-18-19-11-12-20(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3
InChIKeyBVTQVXKWNPSFEE-UHFFFAOYSA-N
XLogP4.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone (CID 4297783) is 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is Cc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
The InChIKey is BVTQVXKWNPSFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2OS/c1-14-7-9-15(10-8-14)17(21)13-22-18-19-11-12-20(18)16-5-3-2-4-6-16/h2-12H,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone?
1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone has a molecular weight of 308.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-(1-phenylimidazol-2-yl)sulfanylethanone is sourced from PubChem (CID 4297783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).