N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide

C22H18N4O2 — CID 118721225

IUPACN-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N4O2/c1-28-19-14-12-16(13-15-19)20-23-22(24-21(27)17-8-4-2-5-9-17)26(25-20)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,24,25,27)
InChIKeyZYLUZUXPUFXKNB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.20
Rot. Bonds5

About N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide

N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide (PubChem CID 118721225) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide
PubChem CID118721225
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide
SMILESCOc1ccc(-c2nc(NC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H18N4O2/c1-28-19-14-12-16(13-15-19)20-23-22(24-21(27)17-8-4-2-5-9-17)26(25-20)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,24,25,27)
InChIKeyZYLUZUXPUFXKNB-UHFFFAOYSA-N
XLogP4.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide (CID 118721225) is N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide is COc1ccc(-c2nc(NC(=O)c3ccccc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide?
The InChIKey is ZYLUZUXPUFXKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-19-14-12-16(13-15-19)20-23-22(24-21(27)17-8-4-2-5-9-17)26(25-20)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,24,25,27).
What are the key properties of N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide?
N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 118721225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).