2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

C18H16ClN3O2S — CID 40574666

IUPAC2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(N)=O
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-5-3-2-4-14(16)22-15(12-6-8-13(19)9-7-12)10-21-18(22)25-11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)
InChIKeyMIZAYHYKDXRZPG-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.78
Rot. Bonds6

About 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide

2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 40574666) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID40574666
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(N)=O
InChIInChI=1S/C18H16ClN3O2S/c1-24-16-5-3-2-4-14(16)22-15(12-6-8-13(19)9-7-12)10-21-18(22)25-11-17(20)23/h2-10H,11H2,1H3,(H2,20,23)
InChIKeyMIZAYHYKDXRZPG-UHFFFAOYSA-N
XLogP3.78
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 40574666) is 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(N)=O.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is MIZAYHYKDXRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-24-16-5-3-2-4-14(16)22-15(12-6-8-13(19)9-7-12)10-21-18(22)25-11-17(20)23/h2-10H,11H2,1H3,(H2,20,23).
What are the key properties of 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide?
2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 373.87 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1-(2-methoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 40574666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).