2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

C21H16ClN3OS — CID 4085691

IUPAC2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16ClN3OS/c22-16-7-4-8-17(13-16)25-12-11-23-21(25)27-14-20(26)24-19-10-3-6-15-5-1-2-9-18(15)19/h1-13H,14H2,(H,24,26)
InChIKeySKBBRDRNTPPEQY-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.41
Rot. Bonds5

About 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 4085691) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID4085691
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC Name2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16ClN3OS/c22-16-7-4-8-17(13-16)25-12-11-23-21(25)27-14-20(26)24-19-10-3-6-15-5-1-2-9-18(15)19/h1-13H,14H2,(H,24,26)
InChIKeySKBBRDRNTPPEQY-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 4085691) is 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is SKBBRDRNTPPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c22-16-7-4-8-17(13-16)25-12-11-23-21(25)27-14-20(26)24-19-10-3-6-15-5-1-2-9-18(15)19/h1-13H,14H2,(H,24,26).
What are the key properties of 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 393.90 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4085691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).