2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide

C20H15ClN4OS — CID 43040259

IUPAC2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
SMILESO=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C20H15ClN4OS/c21-14-6-8-15(9-7-14)25-12-11-23-20(25)27-13-19(26)24-18-5-1-4-17-16(18)3-2-10-22-17/h1-12H,13H2,(H,24,26)
InChIKeyJPBONAUYCLYWFI-UHFFFAOYSA-N
MW394.89 g/mol
LogP4.80
Rot. Bonds5

About 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide

2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide (PubChem CID 43040259) has the molecular formula C20H15ClN4OS and a molecular weight of 394.89 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
PubChem CID43040259
Molecular FormulaC20H15ClN4OS
Molecular Weight394.89 g/mol
Exact Mass394.07
IUPAC Name2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide
SMILESO=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc2ncccc12
InChIInChI=1S/C20H15ClN4OS/c21-14-6-8-15(9-7-14)25-12-11-23-20(25)27-13-19(26)24-18-5-1-4-17-16(18)3-2-10-22-17/h1-12H,13H2,(H,24,26)
InChIKeyJPBONAUYCLYWFI-UHFFFAOYSA-N
XLogP4.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.89
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(4-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide
CID 43038907
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4232174
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 3683998
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 40684891
2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylacetamide
CID 43039876
2-(4-chlorophenoxy)-N-quinolin-5-ylacetamide
CID 952570
2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-quinolin-5-ylacetamide
CID 43040100
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-quinolin-5-ylacetamide
CID 41364691
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 42944877

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide (CID 43040259) is 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide is O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc2ncccc12.
What is the InChIKey of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide?
The InChIKey is JPBONAUYCLYWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4OS/c21-14-6-8-15(9-7-14)25-12-11-23-20(25)27-13-19(26)24-18-5-1-4-17-16(18)3-2-10-22-17/h1-12H,13H2,(H,24,26).
What are the key properties of 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide?
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide has a molecular weight of 394.89 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-quinolin-5-ylacetamide is sourced from PubChem (CID 43040259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).