2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

C25H22ClN3OS — CID 35209150

IUPAC2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClN3OS/c1-17-12-14-20(15-13-17)27-23(30)16-31-25-28-24(19-8-4-3-5-9-19)18(2)29(25)22-11-7-6-10-21(22)26/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyLMTZLRKUYZBJAU-UHFFFAOYSA-N
MW447.99 g/mol
LogP6.54
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 35209150) has the molecular formula C25H22ClN3OS and a molecular weight of 447.99 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID35209150
Molecular FormulaC25H22ClN3OS
Molecular Weight447.99 g/mol
Exact Mass447.12
IUPAC Name2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2ccccc2Cl)cc1
InChIInChI=1S/C25H22ClN3OS/c1-17-12-14-20(15-13-17)27-23(30)16-31-25-28-24(19-8-4-3-5-9-19)18(2)29(25)22-11-7-6-10-21(22)26/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyLMTZLRKUYZBJAU-UHFFFAOYSA-N
XLogP6.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.99
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5200480
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
2-[1-(2-chlorobenzoyl)-5-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 3134290
N-(4-methylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 783683
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dichlorophenyl)acetamide
CID 4262628
2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
N-(4-methoxyphenyl)-2-(1,4,5-triphenylimidazol-2-yl)sulfanylacetamide
CID 3801507
2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 16538297
N-(4-methylphenyl)-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 986884
2-chloro-N-[4-[4-methyl-5-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]phenyl]benzamide
CID 1343929
2-[[6-methyl-3-(4-methylphenyl)-7-oxo-[1,2]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]-N-phenylacetamide
CID 50841468
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 35209150) is 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2ccccc2Cl)cc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is LMTZLRKUYZBJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3OS/c1-17-12-14-20(15-13-17)27-23(30)16-31-25-28-24(19-8-4-3-5-9-19)18(2)29(25)22-11-7-6-10-21(22)26/h3-15H,16H2,1-2H3,(H,27,30).
What are the key properties of 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 447.99 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 35209150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).