2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide

C16H20FN3O2S — CID 18570982

IUPAC2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(CO)cnc1SCc1ccccc1F
InChIInChI=1S/C16H20FN3O2S/c1-11(2)19-15(22)8-20-13(9-21)7-18-16(20)23-10-12-5-3-4-6-14(12)17/h3-7,11,21H,8-10H2,1-2H3,(H,19,22)
InChIKeyDMZPDFHLXFOOJD-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.33
Rot. Bonds7

About 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide

2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 18570982) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID18570982
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(CO)cnc1SCc1ccccc1F
InChIInChI=1S/C16H20FN3O2S/c1-11(2)19-15(22)8-20-13(9-21)7-18-16(20)23-10-12-5-3-4-6-14(12)17/h3-7,11,21H,8-10H2,1-2H3,(H,19,22)
InChIKeyDMZPDFHLXFOOJD-UHFFFAOYSA-N
XLogP2.33
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-benzyl-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 22576301
N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide
CID 18571134
3-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]propanenitrile
CID 24715652
2-[2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 27532498
[2-[(2-fluorophenyl)methylsulfanyl]-3-(thiophen-2-ylmethyl)imidazol-4-yl]methanol
CID 46128397
2-[5-(hydroxymethyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylimidazol-1-yl]-N-propan-2-ylacetamide
CID 41342053
2-[[1-[(2-fluorophenyl)methyl]-5-(hydroxymethyl)imidazol-2-yl]sulfanylmethyl]benzonitrile
CID 42795331
2-[2-[(2,5-dimethylphenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide
CID 18570891
2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 18570969
N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571018
[3-(1,3-benzodioxol-5-ylmethyl)-2-[(2-fluorophenyl)methylsulfanyl]imidazol-4-yl]methanol
CID 7298786
2-[2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 27505247

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide (CID 18570982) is 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(CO)cnc1SCc1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is DMZPDFHLXFOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-11(2)19-15(22)8-20-13(9-21)7-18-16(20)23-10-12-5-3-4-6-14(12)17/h3-7,11,21H,8-10H2,1-2H3,(H,19,22).
What are the key properties of 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide?
2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 337.42 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 18570982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).