2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide

C25H23N3O3S — CID 4558088

IUPAC2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(SCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C25H23N3O3S/c1-30-21-12-8-18(9-13-21)23-16-28(20-10-14-22(31-2)15-11-20)25(27-23)32-17-24(29)26-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyLKWDBJYXNAWPOJ-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.29
Rot. Bonds8

About 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 4558088) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID4558088
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-c2cn(-c3ccc(OC)cc3)c(SCC(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C25H23N3O3S/c1-30-21-12-8-18(9-13-21)23-16-28(20-10-14-22(31-2)15-11-20)25(27-23)32-17-24(29)26-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,26,29)
InChIKeyLKWDBJYXNAWPOJ-UHFFFAOYSA-N
XLogP5.29
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-diphenylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 4088320
2-[4-(4-chlorophenyl)-1-(2-fluorophenyl)imidazol-2-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 4618494
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4121667
2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]sulfonyl-N-phenylacetamide
CID 22423019
N-(4-methylphenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4126512
2-[1-(4-methoxyphenyl)-5-methyl-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 5200480
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 3458291
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 1180873
2-[[5-[(4-methoxyphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 1156322
2-[[5-(4-methoxyphenyl)-4-pyrrol-1-yl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 7267693
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 40649289
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310

Frequently Asked Questions

What is the IUPAC name of 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide (CID 4558088) is 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide is COc1ccc(-c2cn(-c3ccc(OC)cc3)c(SCC(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is LKWDBJYXNAWPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-30-21-12-8-18(9-13-21)23-16-28(20-10-14-22(31-2)15-11-20)25(27-23)32-17-24(29)26-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3,(H,26,29).
What are the key properties of 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 445.54 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 4558088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).