2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide

C17H20N6O2 — CID 166241451

IUPAC2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCc1nccn1Cc1cccc(NC(=O)Cn2nc(C)n(C)c2=O)c1
InChIInChI=1S/C17H20N6O2/c1-12-18-7-8-22(12)10-14-5-4-6-15(9-14)19-16(24)11-23-17(25)21(3)13(2)20-23/h4-9H,10-11H2,1-3H3,(H,19,24)
InChIKeyGHIFBFQKVSVWIZ-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.08
Rot. Bonds5

About 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide

2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide (PubChem CID 166241451) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
PubChem CID166241451
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide
SMILESCc1nccn1Cc1cccc(NC(=O)Cn2nc(C)n(C)c2=O)c1
InChIInChI=1S/C17H20N6O2/c1-12-18-7-8-22(12)10-14-5-4-6-15(9-14)19-16(24)11-23-17(25)21(3)13(2)20-23/h4-9H,10-11H2,1-3H3,(H,19,24)
InChIKeyGHIFBFQKVSVWIZ-UHFFFAOYSA-N
XLogP1.08
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-2-(2-methylimidazol-1-yl)acetamide
CID 60724518
2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116926
2-methyl-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-3-methylsulfonylpropanamide
CID 84585604
4-(5-amino-3-methylpyrazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 46974322
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-4-morpholin-4-ylbenzamide
CID 46974679
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
(3R)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 97218717
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 55967727
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 46974809
N-[3-(hydroxymethyl)phenyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 110885067

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide (CID 166241451) is 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide is Cc1nccn1Cc1cccc(NC(=O)Cn2nc(C)n(C)c2=O)c1.
What is the InChIKey of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
The InChIKey is GHIFBFQKVSVWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-12-18-7-8-22(12)10-14-5-4-6-15(9-14)19-16(24)11-23-17(25)21(3)13(2)20-23/h4-9H,10-11H2,1-3H3,(H,19,24).
What are the key properties of 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide?
2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 166241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).