2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide

C17H21N3OS — CID 136557380

IUPAC2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
SMILESCSC1(CNC(=O)Cc2ccc(-n3ccnc3)cc2)CCC1
InChIInChI=1S/C17H21N3OS/c1-22-17(7-2-8-17)12-19-16(21)11-14-3-5-15(6-4-14)20-10-9-18-13-20/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,19,21)
InChIKeyUBOXTZOGGCWTFW-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.82
Rot. Bonds6

About 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide

2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide (PubChem CID 136557380) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
PubChem CID136557380
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
SMILESCSC1(CNC(=O)Cc2ccc(-n3ccnc3)cc2)CCC1
InChIInChI=1S/C17H21N3OS/c1-22-17(7-2-8-17)12-19-16(21)11-14-3-5-15(6-4-14)20-10-9-18-13-20/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,19,21)
InChIKeyUBOXTZOGGCWTFW-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 136587080
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 111618688
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
[1-[[(4-imidazol-1-ylphenyl)methylamino]methyl]cyclopropyl]methanol
CID 79479608
1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]imidazole
CID 104688153

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide?
The IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide (CID 136557380) is 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide.
What is the SMILES notation for 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide?
The canonical SMILES for 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide is CSC1(CNC(=O)Cc2ccc(-n3ccnc3)cc2)CCC1.
What is the InChIKey of 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide?
The InChIKey is UBOXTZOGGCWTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-22-17(7-2-8-17)12-19-16(21)11-14-3-5-15(6-4-14)20-10-9-18-13-20/h3-6,9-10,13H,2,7-8,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide?
2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide is sourced from PubChem (CID 136557380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).