2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide

C21H23ClN4O2 — CID 45165633

IUPAC2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
SMILESCc1cccc2nc(CNC(=O)CN3Cc4cc(Cl)ccc4OC(C)C3)cn12
InChIInChI=1S/C21H23ClN4O2/c1-14-4-3-5-20-24-18(12-26(14)20)9-23-21(27)13-25-10-15(2)28-19-7-6-17(22)8-16(19)11-25/h3-8,12,15H,9-11,13H2,1-2H3,(H,23,27)
InChIKeyOIQDRGPKRHQJQI-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.20
Rot. Bonds4

About 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide

2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide (PubChem CID 45165633) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
PubChem CID45165633
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
SMILESCc1cccc2nc(CNC(=O)CN3Cc4cc(Cl)ccc4OC(C)C3)cn12
InChIInChI=1S/C21H23ClN4O2/c1-14-4-3-5-20-24-18(12-26(14)20)9-23-21(27)13-25-10-15(2)28-19-7-6-17(22)8-16(19)11-25/h3-8,12,15H,9-11,13H2,1-2H3,(H,23,27)
InChIKeyOIQDRGPKRHQJQI-UHFFFAOYSA-N
XLogP3.20
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
The IUPAC name of 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide (CID 45165633) is 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
The canonical SMILES for 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide is Cc1cccc2nc(CNC(=O)CN3Cc4cc(Cl)ccc4OC(C)C3)cn12.
What is the InChIKey of 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
The InChIKey is OIQDRGPKRHQJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-14-4-3-5-20-24-18(12-26(14)20)9-23-21(27)13-25-10-15(2)28-19-7-6-17(22)8-16(19)11-25/h3-8,12,15H,9-11,13H2,1-2H3,(H,23,27).
What are the key properties of 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide?
2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide is sourced from PubChem (CID 45165633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).