2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

C24H21N3OS — CID 4121667

IUPAC2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C24H21N3OS/c1-18-10-8-9-15-22(18)27-16-21(19-11-4-2-5-12-19)26-24(27)29-17-23(28)25-20-13-6-3-7-14-20/h2-16H,17H2,1H3,(H,25,28)
InChIKeyJTJAOKPEISQVSC-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.58
Rot. Bonds6

About 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 4121667) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID4121667
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1
InChIInChI=1S/C24H21N3OS/c1-18-10-8-9-15-22(18)27-16-21(19-11-4-2-5-12-19)26-24(27)29-17-23(28)25-20-13-6-3-7-14-20/h2-16H,17H2,1H3,(H,25,28)
InChIKeyJTJAOKPEISQVSC-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
N-(4-chlorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4121670
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
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-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4618494
N-(5-chloro-2-methylphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23961762
2-[1-(5-chloro-2-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 4673985
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(3,5-difluorophenyl)acetamide
CID 47015745
2-(4-hydroxy-1-methyl-6-oxopyrimidin-2-yl)sulfanyl-N-phenylacetamide
CID 135431911
N-(3-bromophenyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7257762
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (CID 4121667) is 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is JTJAOKPEISQVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-18-10-8-9-15-22(18)27-16-21(19-11-4-2-5-12-19)26-24(27)29-17-23(28)25-20-13-6-3-7-14-20/h2-16H,17H2,1H3,(H,25,28).
What are the key properties of 2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide 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-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 4121667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).