N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide

C20H18N6O2 — CID 161475867

IUPACN-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCOc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1
InChIInChI=1S/C20H18N6O2/c1-25-13-21-11-19(25)18-12-26(24-23-18)16-7-3-5-14(9-16)20(27)22-15-6-4-8-17(10-15)28-2/h3-13H,1-2H3,(H,22,27)
InChIKeyWKNPTAWZVLVWET-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.93
Rot. Bonds5

About N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide

N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (PubChem CID 161475867) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
PubChem CID161475867
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC NameN-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
SMILESCOc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1
InChIInChI=1S/C20H18N6O2/c1-25-13-21-11-19(25)18-12-26(24-23-18)16-7-3-5-14(9-16)20(27)22-15-6-4-8-17(10-15)28-2/h3-13H,1-2H3,(H,22,27)
InChIKeyWKNPTAWZVLVWET-UHFFFAOYSA-N
XLogP2.93
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide (CID 161475867) is N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is COc1cccc(NC(=O)c2cccc(-n3cc(-c4cncn4C)nn3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
The InChIKey is WKNPTAWZVLVWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-25-13-21-11-19(25)18-12-26(24-23-18)16-7-3-5-14(9-16)20(27)22-15-6-4-8-17(10-15)28-2/h3-13H,1-2H3,(H,22,27).
What are the key properties of N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide?
N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 161475867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).