2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide

C19H24N4O2 — CID 167811976

IUPAC2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CN(C(=O)Cn2ccnc2C(C)C)C1
InChIInChI=1S/C19H24N4O2/c1-13(2)18-20-8-9-22(18)12-17(24)23-10-15(11-23)21-19(25)16-7-5-4-6-14(16)3/h4-9,13,15H,10-12H2,1-3H3,(H,21,25)
InChIKeyTWKFKRUHZLYDSW-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.96
Rot. Bonds5

About 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide

2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide (PubChem CID 167811976) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide
PubChem CID167811976
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CN(C(=O)Cn2ccnc2C(C)C)C1
InChIInChI=1S/C19H24N4O2/c1-13(2)18-20-8-9-22(18)12-17(24)23-10-15(11-23)21-19(25)16-7-5-4-6-14(16)3/h4-9,13,15H,10-12H2,1-3H3,(H,21,25)
InChIKeyTWKFKRUHZLYDSW-UHFFFAOYSA-N
XLogP1.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide (CID 167811976) is 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide is Cc1ccccc1C(=O)NC1CN(C(=O)Cn2ccnc2C(C)C)C1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide?
The InChIKey is TWKFKRUHZLYDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)18-20-8-9-22(18)12-17(24)23-10-15(11-23)21-19(25)16-7-5-4-6-14(16)3/h4-9,13,15H,10-12H2,1-3H3,(H,21,25).
What are the key properties of 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide?
2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-propan-2-ylimidazol-1-yl)acetyl]azetidin-3-yl]benzamide is sourced from PubChem (CID 167811976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).