2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide

C18H23N3O2S — CID 22576257

IUPAC2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ncc(CO)n1Cc1ccccc1)NC1CCCC1
InChIInChI=1S/C18H23N3O2S/c22-12-16-10-19-18(21(16)11-14-6-2-1-3-7-14)24-13-17(23)20-15-8-4-5-9-15/h1-3,6-7,10,15,22H,4-5,8-9,11-13H2,(H,20,23)
InChIKeyDVQYGPWTMUBTDR-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.57
Rot. Bonds7

About 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide

2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide (PubChem CID 22576257) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
PubChem CID22576257
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide
SMILESO=C(CSc1ncc(CO)n1Cc1ccccc1)NC1CCCC1
InChIInChI=1S/C18H23N3O2S/c22-12-16-10-19-18(21(16)11-14-6-2-1-3-7-14)24-13-17(23)20-15-8-4-5-9-15/h1-3,6-7,10,15,22H,4-5,8-9,11-13H2,(H,20,23)
InChIKeyDVQYGPWTMUBTDR-UHFFFAOYSA-N
XLogP2.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-cyclopentylacetamide
CID 41342211
N-cyclohexyl-2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylacetamide
CID 66151889
N-cyclopentyl-2-[2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571102
[3-benzyl-2-(2-phenylethylsulfanyl)imidazol-4-yl]methanol
CID 22576278
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide
CID 4677128
2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N-cyclohexylacetamide
CID 1173813
2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 22576231
N-cyclopentyl-2-[5-(hydroxymethyl)-2-(naphthalen-1-ylmethylsulfanyl)imidazol-1-yl]acetamide
CID 18571134
2-[(4-benzyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopropylacetamide
CID 1313681
ethyl 4-[[2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate
CID 22576254
2-(1-benzyl-4,5-diphenylimidazol-2-yl)sulfanyl-N-cyclopropylacetamide
CID 18269176
N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 18571018

Frequently Asked Questions

What is the IUPAC name of 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
The IUPAC name of 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide (CID 22576257) is 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide is O=C(CSc1ncc(CO)n1Cc1ccccc1)NC1CCCC1.
What is the InChIKey of 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
The InChIKey is DVQYGPWTMUBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c22-12-16-10-19-18(21(16)11-14-6-2-1-3-7-14)24-13-17(23)20-15-8-4-5-9-15/h1-3,6-7,10,15,22H,4-5,8-9,11-13H2,(H,20,23).
What are the key properties of 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide?
2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-benzyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-cyclopentylacetamide is sourced from PubChem (CID 22576257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).