2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide

C19H18FN3O2S — CID 7621735

IUPAC2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nc(CO)cn1Cc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C19H18FN3O2S/c20-15-8-6-14(7-9-15)10-23-11-17(12-24)22-19(23)26-13-18(25)21-16-4-2-1-3-5-16/h1-9,11,24H,10,12-13H2,(H,21,25)
InChIKeyYEHJJZZFXVQGHD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.29
Rot. Bonds7

About 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide

2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 7621735) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
PubChem CID7621735
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
SMILESO=C(CSc1nc(CO)cn1Cc1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C19H18FN3O2S/c20-15-8-6-14(7-9-15)10-23-11-17(12-24)22-19(23)26-13-18(25)21-16-4-2-1-3-5-16/h1-9,11,24H,10,12-13H2,(H,21,25)
InChIKeyYEHJJZZFXVQGHD-UHFFFAOYSA-N
XLogP3.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 7621863
2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 7621498
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 43996436
2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide
CID 7621733
N-[(4-fluorophenyl)methyl]-2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7621426
2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7621499
2-[1-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 43996523
2-[1-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(4-nitrophenyl)acetamide
CID 43996499
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanylethanone
CID 7621729
2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 43996430
2-[1-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3-nitrophenyl)acetamide
CID 43996498
2-[6-[(4-fluorophenyl)methyl]-2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl-N-phenylacetamide
CID 50789804

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide (CID 7621735) is 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide is O=C(CSc1nc(CO)cn1Cc1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is YEHJJZZFXVQGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-8-6-14(7-9-15)10-23-11-17(12-24)22-19(23)26-13-18(25)21-16-4-2-1-3-5-16/h1-9,11,24H,10,12-13H2,(H,21,25).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide?
2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 7621735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).