2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide

C16H18N6O — CID 166280138

IUPAC2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)Cc1ccc(-n2ccnc2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H18N6O/c1-16(2,15-18-10-19-21-15)20-14(23)9-12-3-5-13(6-4-12)22-8-7-17-11-22/h3-8,10-11H,9H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyRDBWTBLXRNQFJW-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.58
Rot. Bonds5

About 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide

2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide (PubChem CID 166280138) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide
PubChem CID166280138
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide
SMILESCC(C)(NC(=O)Cc1ccc(-n2ccnc2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H18N6O/c1-16(2,15-18-10-19-21-15)20-14(23)9-12-3-5-13(6-4-12)22-8-7-17-11-22/h3-8,10-11H,9H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyRDBWTBLXRNQFJW-UHFFFAOYSA-N
XLogP1.58
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
2-(4-imidazol-1-ylphenyl)acetic acid;hydrochloride
CID 122163959
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N'-[2-(4-fluorophenyl)acetyl]-4-imidazol-1-ylbenzohydrazide
CID 36626917
N-[3-(hydroxymethyl)cyclobutyl]-2-(4-imidazol-1-ylphenyl)acetamide
CID 136587080
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
N-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43777191
N-[5-[(4-imidazol-1-ylphenyl)methylamino]-2-methylphenyl]acetamide
CID 78887879
2-(4-imidazol-1-ylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]acetamide
CID 136557380
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46772928

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide (CID 166280138) is 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide is CC(C)(NC(=O)Cc1ccc(-n2ccnc2)cc1)c1ncn[nH]1.
What is the InChIKey of 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide?
The InChIKey is RDBWTBLXRNQFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-16(2,15-18-10-19-21-15)20-14(23)9-12-3-5-13(6-4-12)22-8-7-17-11-22/h3-8,10-11H,9H2,1-2H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide?
2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]acetamide is sourced from PubChem (CID 166280138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).