2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

C24H21N3OS — CID 4088320

IUPAC2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3OS/c1-18-12-14-20(15-13-18)25-23(28)17-29-24-26-22(19-8-4-2-5-9-19)16-27(24)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,25,28)
InChIKeyJDQZGRHPKVWPDS-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.58
Rot. Bonds6

About 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide

2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 4088320) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID4088320
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2)cc1
InChIInChI=1S/C24H21N3OS/c1-18-12-14-20(15-13-18)25-23(28)17-29-24-26-22(19-8-4-2-5-9-19)16-27(24)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,25,28)
InChIKeyJDQZGRHPKVWPDS-UHFFFAOYSA-N
XLogP5.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 3458291
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4121667
N-(4-chlorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4121670
N-(5-chloro-2-methylphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23961762
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23909049
N-(4-methylphenyl)-2-(2-oxo-1,3-diphenylimidazol-4-yl)sulfanylacetamide
CID 11133475
2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4618494
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
N-(4-bromophenyl)-2-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2040936

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide (CID 4088320) is 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is JDQZGRHPKVWPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-18-12-14-20(15-13-18)25-23(28)17-29-24-26-22(19-8-4-2-5-9-19)16-27(24)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,25,28).
What are the key properties of 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide?
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 399.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).