2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide

C20H22N4O — CID 167768905

IUPAC2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2nn(-c3ccccc3)nc2C)c(C)c1
InChIInChI=1S/C20H22N4O/c1-13-10-14(2)19(15(3)11-13)20(25)21-12-18-16(4)22-24(23-18)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyZSDVCYOBXYULRF-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.43
Rot. Bonds4

About 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide

2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide (PubChem CID 167768905) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
PubChem CID167768905
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide
SMILESCc1cc(C)c(C(=O)NCc2nn(-c3ccccc3)nc2C)c(C)c1
InChIInChI=1S/C20H22N4O/c1-13-10-14(2)19(15(3)11-13)20(25)21-12-18-16(4)22-24(23-18)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,21,25)
InChIKeyZSDVCYOBXYULRF-UHFFFAOYSA-N
XLogP3.43
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide (CID 167768905) is 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide is Cc1cc(C)c(C(=O)NCc2nn(-c3ccccc3)nc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
The InChIKey is ZSDVCYOBXYULRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-10-14(2)19(15(3)11-13)20(25)21-12-18-16(4)22-24(23-18)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,21,25).
What are the key properties of 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide?
2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide has a molecular weight of 334.42 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[(5-methyl-2-phenyltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 167768905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).