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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Related Compounds

2-[[5-[(2-methoxyphenoxy)methyl]-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1176924
2-[[5-[(4-chlorophenoxy)methyl]-4-(2-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1154871
N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4967818
2-[5-(4-chlorophenyl)-1-(2,6-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 126799216
2-[[4-(2-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2703858
1-(4-chlorophenyl)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylethanone
CID 3537880
benzyl 2-[[5-(3-chlorophenyl)-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 11605123
2-[[3-(2-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
CID 7501381
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 4527537
N-[2-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 4052073
N-(5-chloro-2-pyridinyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2126022
2-[5-(4-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-yl]sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 3212461

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).