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

C23H21N3OS — CID 4179539

IUPAC2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1C
InChIInChI=1S/C23H21N3OS/c1-16-7-5-12-21(17(16)2)26-14-13-24-23(26)28-15-22(27)25-20-11-6-9-18-8-3-4-10-19(18)20/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyQTSYYLVZFOCXOB-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.37
Rot. Bonds5

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

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (PubChem CID 4179539) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
PubChem CID4179539
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Name2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
SMILESCc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1C
InChIInChI=1S/C23H21N3OS/c1-16-7-5-12-21(17(16)2)26-14-13-24-23(26)28-15-22(27)25-20-11-6-9-18-8-3-4-10-19(18)20/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyQTSYYLVZFOCXOB-UHFFFAOYSA-N
XLogP5.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-naphthalen-1-yl-2-pyrimidin-2-ylsulfanylacetamide
CID 935780
N-[(4-fluorophenyl)methyl]-2-(1-phenylimidazol-2-yl)sulfanylacetamide
CID 866687
N-(3-cyanophenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4186468
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
2-((1-(2,5-dimethylphenyl)-1H-imidazol-2-yl)thio)acetamide
CID 7150916
N-(3,5-dimethylphenyl)-2-((1-phenyl-1H-imidazol-2-yl)thio)acetamide
CID 866679
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(1-methyl-5-phenyl-1H-imidazol-2-ylsulfanyl)-ethanone
CID 1169875
2-methylbenzyl 1-phenyl-1H-imidazol-2-yl sulfide
CID 1477494
2-[1-(1-naphthyl)imidazol-2-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 5275154
3-Imidazol-1-yl-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propanamide
CID 44547187
1-(3-(1H-imidazol-1-yl)propyl)-3-naphthalen-1-ylthiourea
CID 6539183
N-mesityl-2-[(1-methyl-1H-imidazol-2-yl)thio]acetamide
CID 708564

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide (CID 4179539) is 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
The InChIKey is QTSYYLVZFOCXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c1-16-7-5-12-21(17(16)2)26-14-13-24-23(26)28-15-22(27)25-20-11-6-9-18-8-3-4-10-19(18)20/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide?
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide has a molecular weight of 387.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 4179539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).