2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide

C16H21N3OS — CID 40657989

IUPAC2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn1-c1ccc(C)c(C)c1
InChIInChI=1S/C16H21N3OS/c1-4-7-17-15(20)11-21-16-18-8-9-19(16)14-6-5-12(2)13(3)10-14/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,20)
InChIKeyYWOAIOIPMSKKOS-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.11
Rot. Bonds6

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide (PubChem CID 40657989) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
PubChem CID40657989
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1nccn1-c1ccc(C)c(C)c1
InChIInChI=1S/C16H21N3OS/c1-4-7-17-15(20)11-21-16-18-8-9-19(16)14-6-5-12(2)13(3)10-14/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,20)
InChIKeyYWOAIOIPMSKKOS-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-ethylphenyl)acetamide
CID 30802040
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1,2-oxazol-3-yl)acetamide
CID 17470138
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30801985
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
N-(1-cyanocyclohexyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30802016
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylsulfonylphenyl)acetamide
CID 26829244
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide (CID 40657989) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1nccn1-c1ccc(C)c(C)c1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
The InChIKey is YWOAIOIPMSKKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-7-17-15(20)11-21-16-18-8-9-19(16)14-6-5-12(2)13(3)10-14/h5-6,8-10H,4,7,11H2,1-3H3,(H,17,20).
What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide?
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide has a molecular weight of 303.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 40657989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).