2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

C16H16ClN5OS — CID 36621913

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C16H16ClN5OS/c1-11-8-14(21(2)20-11)19-15(23)10-24-16-18-6-7-22(16)13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyCBPXFINDWORWDM-UHFFFAOYSA-N
MW361.86 g/mol
LogP3.30
Rot. Bonds5

About 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 36621913) has the molecular formula C16H16ClN5OS and a molecular weight of 361.86 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID36621913
Molecular FormulaC16H16ClN5OS
Molecular Weight361.86 g/mol
Exact Mass361.08
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)n(C)n1
InChIInChI=1S/C16H16ClN5OS/c1-11-8-14(21(2)20-11)19-15(23)10-24-16-18-6-7-22(16)13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,19,23)
InChIKeyCBPXFINDWORWDM-UHFFFAOYSA-N
XLogP3.30
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
CID 47134933
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580
N-(2-chloro-4-fluorophenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40665623
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3683998
N-(2,3-dimethylphenyl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 3253704
N-(3-chloro-4-methylphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 5153434
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 30802274
2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24686484
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 36621913) is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nccn2-c2cccc(Cl)c2)n(C)n1.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is CBPXFINDWORWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5OS/c1-11-8-14(21(2)20-11)19-15(23)10-24-16-18-6-7-22(16)13-5-3-4-12(17)9-13/h3-9H,10H2,1-2H3,(H,19,23).
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 361.86 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 36621913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).