2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

C24H20ClN3O2S — CID 4126696

IUPAC2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C24H20ClN3O2S/c1-30-22-13-12-19(14-20(22)25)28-15-21(17-8-4-2-5-9-17)27-24(28)31-16-23(29)26-18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)
InChIKeyMUTSDCBXTFUWOO-UHFFFAOYSA-N
MW449.96 g/mol
LogP5.93
Rot. Bonds7

About 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 4126696) has the molecular formula C24H20ClN3O2S and a molecular weight of 449.96 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID4126696
Molecular FormulaC24H20ClN3O2S
Molecular Weight449.96 g/mol
Exact Mass449.10
IUPAC Name2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C24H20ClN3O2S/c1-30-22-13-12-19(14-20(22)25)28-15-21(17-8-4-2-5-9-17)27-24(28)31-16-23(29)26-18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29)
InChIKeyMUTSDCBXTFUWOO-UHFFFAOYSA-N
XLogP5.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.96
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide (CID 4126696) is 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is COc1ccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is MUTSDCBXTFUWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O2S/c1-30-22-13-12-19(14-20(22)25)28-15-21(17-8-4-2-5-9-17)27-24(28)31-16-23(29)26-18-10-6-3-7-11-18/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 449.96 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methoxyphenyl)-4-phenylimidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 4126696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).