2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide

C15H16N6OS — CID 72901054

IUPAC2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
SMILESO=C(Cn1ccnc1-c1ccccc1)NCCSc1ncn[nH]1
InChIInChI=1S/C15H16N6OS/c22-13(16-7-9-23-15-18-11-19-20-15)10-21-8-6-17-14(21)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,16,22)(H,18,19,20)
InChIKeyMIYYOBZRSAZLCR-UHFFFAOYSA-N
MW328.40 g/mol
LogP1.58
Rot. Bonds7

About 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide

2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide (PubChem CID 72901054) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
PubChem CID72901054
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
SMILESO=C(Cn1ccnc1-c1ccccc1)NCCSc1ncn[nH]1
InChIInChI=1S/C15H16N6OS/c22-13(16-7-9-23-15-18-11-19-20-15)10-21-8-6-17-14(21)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,16,22)(H,18,19,20)
InChIKeyMIYYOBZRSAZLCR-UHFFFAOYSA-N
XLogP1.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
N-(3-indazol-1-ylpropyl)-2-(2-phenylimidazol-1-yl)acetamide
CID 72885643
2-(2-phenylimidazol-1-yl)-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 72927386
2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 29026246
2-(2-phenylimidazol-1-yl)acetate
CID 7446830
1-phenyl-2-(2-phenylimidazol-1-yl)ethanone
CID 61069382
N-[2-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9290117
1-benzyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]pyrazole-4-carboxamide
CID 100775301
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72918065
3-(4-fluorophenyl)-3-[[2-(2-phenylimidazol-1-yl)acetyl]amino]propanoic acid
CID 72907292
2-[benzenesulfonyl(2-phenylethyl)amino]-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide
CID 100789741
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-(2-phenylimidazol-1-yl)acetamide
CID 72908286

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide?
The IUPAC name of 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide (CID 72901054) is 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide?
The canonical SMILES for 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide is O=C(Cn1ccnc1-c1ccccc1)NCCSc1ncn[nH]1.
What is the InChIKey of 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide?
The InChIKey is MIYYOBZRSAZLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c22-13(16-7-9-23-15-18-11-19-20-15)10-21-8-6-17-14(21)12-4-2-1-3-5-12/h1-6,8,11H,7,9-10H2,(H,16,22)(H,18,19,20).
What are the key properties of 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide?
2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide has a molecular weight of 328.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylimidazol-1-yl)-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]acetamide is sourced from PubChem (CID 72901054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).