N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide

C20H21N3O3S — CID 7150955

IUPACN-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-25-16-8-9-17(18(12-16)26-2)23-11-10-21-20(23)27-14-19(24)22-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeySAUYMGTUCWMTON-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.30
Rot. Bonds8

About N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide

N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7150955) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7150955
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2)c(OC)c1
InChIInChI=1S/C20H21N3O3S/c1-25-16-8-9-17(18(12-16)26-2)23-11-10-21-20(23)27-14-19(24)22-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,22,24)
InChIKeySAUYMGTUCWMTON-UHFFFAOYSA-N
XLogP3.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide (CID 7150955) is N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide is COc1ccc(-n2ccnc2SCC(=O)NCc2ccccc2)c(OC)c1.
What is the InChIKey of N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is SAUYMGTUCWMTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-16-8-9-17(18(12-16)26-2)23-11-10-21-20(23)27-14-19(24)22-13-15-6-4-3-5-7-15/h3-12H,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide?
N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-(2,4-dimethoxyphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).