2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C25H21N3O2S — CID 1374972

IUPAC2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2S/c1-18-12-14-21(15-13-18)27-23(29)17-31-25-26-16-22(19-8-4-2-5-9-19)28(25)24(30)20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,27,29)
InChIKeySPNJBMMPFIYEGF-UHFFFAOYSA-N
MW427.53 g/mol
LogP5.28
Rot. Bonds6

About 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 1374972) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID1374972
Molecular FormulaC25H21N3O2S
Molecular Weight427.53 g/mol
Exact Mass427.14
IUPAC Name2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2)cc1
InChIInChI=1S/C25H21N3O2S/c1-18-12-14-21(15-13-18)27-23(29)17-31-25-26-16-22(19-8-4-2-5-9-19)28(25)24(30)20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,27,29)
InChIKeySPNJBMMPFIYEGF-UHFFFAOYSA-N
XLogP5.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 1374972) is 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is SPNJBMMPFIYEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-18-12-14-21(15-13-18)27-23(29)17-31-25-26-16-22(19-8-4-2-5-9-19)28(25)24(30)20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,27,29).
What are the key properties of 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzoyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 1374972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).