N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide

C23H18ClN3O2S — CID 23909049

IUPACN-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)Nc1ccc(Cl)cc1O
InChIInChI=1S/C23H18ClN3O2S/c24-17-11-12-19(21(28)13-17)25-22(29)15-30-23-26-20(16-7-3-1-4-8-16)14-27(23)18-9-5-2-6-10-18/h1-14,28H,15H2,(H,25,29)
InChIKeyDDBRVSOFDYFNOL-UHFFFAOYSA-N
MW435.94 g/mol
LogP5.63
Rot. Bonds6

About N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide

N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide (PubChem CID 23909049) has the molecular formula C23H18ClN3O2S and a molecular weight of 435.94 g/mol. Its IUPAC name is N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
PubChem CID23909049
Molecular FormulaC23H18ClN3O2S
Molecular Weight435.94 g/mol
Exact Mass435.08
IUPAC NameN-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
SMILESO=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)Nc1ccc(Cl)cc1O
InChIInChI=1S/C23H18ClN3O2S/c24-17-11-12-19(21(28)13-17)25-22(29)15-30-23-26-20(16-7-3-1-4-8-16)14-27(23)18-9-5-2-6-10-18/h1-14,28H,15H2,(H,25,29)
InChIKeyDDBRVSOFDYFNOL-UHFFFAOYSA-N
XLogP5.63
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.94
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide
CID 23961762
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-[1-(5-chloro-2-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 4673985
N-(4-chlorophenyl)-2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
CID 4121670
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
CID 3988066
2-[[5-(5-bromo-2-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-hydroxyphenyl)acetamide
CID 137058439
2-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4558088
N-(4-chloro-2-hydroxyphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 9350372
N-(5-chloro-2-hydroxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135552420
2-[1-(2-methylphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 4121667
N-(2-chlorophenyl)-2-[[4-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40568574

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide (CID 23909049) is N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide is O=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)Nc1ccc(Cl)cc1O.
What is the InChIKey of N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide?
The InChIKey is DDBRVSOFDYFNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2S/c24-17-11-12-19(21(28)13-17)25-22(29)15-30-23-26-20(16-7-3-1-4-8-16)14-27(23)18-9-5-2-6-10-18/h1-14,28H,15H2,(H,25,29).
What are the key properties of N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide?
N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide has a molecular weight of 435.94 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-hydroxyphenyl)-2-(1,4-diphenylimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 23909049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).