N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide

C20H21N3O2S — CID 7151046

IUPACN-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-18-9-7-17(8-10-18)14-23-12-11-21-20(23)26-15-19(24)22-13-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,24)
InChIKeyVPWVDSJDKLMEJS-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.35
Rot. Bonds8

About N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151046) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151046
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCOc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2S/c1-25-18-9-7-17(8-10-18)14-23-12-11-21-20(23)26-15-19(24)22-13-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,24)
InChIKeyVPWVDSJDKLMEJS-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151044
2-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-2-yl)thio)-N-(2-methoxyethyl)acetamide
CID 7151085
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N-[(4-methoxyphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 11624646
N-[3-(1H-imidazol-1-yl)propyl]-N'-(4-methoxybenzyl)ethanediamide
CID 2958937
2-((1-(3-methoxyphenyl)-1H-imidazol-2-yl)thio)-N-phenylacetamide
CID 866704
ethyl 4-(4-methoxyphenyl)-6-{[(1-methyl-1H-imidazol-2-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2982110
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 2998803
N-(2,3-Dimethyl-phenyl)-2-[1-(2-methoxy-ethyl)-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 3190595
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335
N-[(4-Fluoro-benzylcarbamoyl)-methyl]-N-(4-methoxy-benzyl)-N'-thiazol-2-yl-succinamide
CID 3205365
N-(3-methoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 3244086

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151046) is N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is COc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is VPWVDSJDKLMEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-25-18-9-7-17(8-10-18)14-23-12-11-21-20(23)26-15-19(24)22-13-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 367.47 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).