2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide

C14H17N3O2S — CID 18571185

IUPAC2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(CO)cnc1SCCc1ccccc1
InChIInChI=1S/C14H17N3O2S/c15-13(19)9-17-12(10-18)8-16-14(17)20-7-6-11-4-2-1-3-5-11/h1-5,8,18H,6-7,9-10H2,(H2,15,19)
InChIKeyKDNYAULFSATPLE-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.20
Rot. Bonds7

About 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide

2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide (PubChem CID 18571185) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide
PubChem CID18571185
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide
SMILESNC(=O)Cn1c(CO)cnc1SCCc1ccccc1
InChIInChI=1S/C14H17N3O2S/c15-13(19)9-17-12(10-18)8-16-14(17)20-7-6-11-4-2-1-3-5-11/h1-5,8,18H,6-7,9-10H2,(H2,15,19)
InChIKeyKDNYAULFSATPLE-UHFFFAOYSA-N
XLogP1.20
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide?
The IUPAC name of 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide (CID 18571185) is 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide is NC(=O)Cn1c(CO)cnc1SCCc1ccccc1.
What is the InChIKey of 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide?
The InChIKey is KDNYAULFSATPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c15-13(19)9-17-12(10-18)8-16-14(17)20-7-6-11-4-2-1-3-5-11/h1-5,8,18H,6-7,9-10H2,(H2,15,19).
What are the key properties of 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide?
2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-2-(2-phenylethylsulfanyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 18571185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).