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

C25H23N3OS — CID 4126512

IUPACN-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2C)cc1
InChIInChI=1S/C25H23N3OS/c1-18-12-14-21(15-13-18)26-24(29)17-30-25-27-22(20-9-4-3-5-10-20)16-28(25)23-11-7-6-8-19(23)2/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyVDJPEWAWNRJMMU-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.89
Rot. Bonds6

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

N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 4126512) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
PubChem CID4126512
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC NameN-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2C)cc1
InChIInChI=1S/C25H23N3OS/c1-18-12-14-21(15-13-18)26-24(29)17-30-25-27-22(20-9-4-3-5-10-20)16-28(25)23-11-7-6-8-19(23)2/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyVDJPEWAWNRJMMU-UHFFFAOYSA-N
XLogP5.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
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
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 35209150
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
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
2-[[4-(2-ethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 31778520

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (CID 4126512) is N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cn2-c2ccccc2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is VDJPEWAWNRJMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-18-12-14-21(15-13-18)26-24(29)17-30-25-27-22(20-9-4-3-5-10-20)16-28(25)23-11-7-6-8-19(23)2/h3-16H,17H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 413.55 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4126512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).