2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide

C19H25N5O2 — CID 166370408

IUPAC2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide
SMILESCc1nccn1CC(=O)NCCN(C)C1CCc2ccccc2NC1=O
InChIInChI=1S/C19H25N5O2/c1-14-20-10-12-24(14)13-18(25)21-9-11-23(2)17-8-7-15-5-3-4-6-16(15)22-19(17)26/h3-6,10,12,17H,7-9,11,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGRASDEIBELFRNG-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.19
Rot. Bonds6

About 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide

2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide (PubChem CID 166370408) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide
PubChem CID166370408
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide
SMILESCc1nccn1CC(=O)NCCN(C)C1CCc2ccccc2NC1=O
InChIInChI=1S/C19H25N5O2/c1-14-20-10-12-24(14)13-18(25)21-9-11-23(2)17-8-7-15-5-3-4-6-16(15)22-19(17)26/h3-6,10,12,17H,7-9,11,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyGRASDEIBELFRNG-UHFFFAOYSA-N
XLogP1.19
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide (CID 166370408) is 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide is Cc1nccn1CC(=O)NCCN(C)C1CCc2ccccc2NC1=O.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide?
The InChIKey is GRASDEIBELFRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14-20-10-12-24(14)13-18(25)21-9-11-23(2)17-8-7-15-5-3-4-6-16(15)22-19(17)26/h3-6,10,12,17H,7-9,11,13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide?
2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[2-[methyl-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 166370408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).