1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one

C22H25N5O2 — CID 166248297

IUPAC1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C22H25N5O2/c28-22-23-9-10-27(22)16-13-25-11-14-26(15-12-25)21-17-5-1-3-7-19(17)29-20-8-4-2-6-18(20)24-21/h1-8H,9-16H2,(H,23,28)
InChIKeyPJSIRNOCLQXUJS-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one

1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one (PubChem CID 166248297) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
PubChem CID166248297
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C22H25N5O2/c28-22-23-9-10-27(22)16-13-25-11-14-26(15-12-25)21-17-5-1-3-7-19(17)29-20-8-4-2-6-18(20)24-21/h1-8H,9-16H2,(H,23,28)
InChIKeyPJSIRNOCLQXUJS-UHFFFAOYSA-N
XLogP2.51
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-hexylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 18940413
6-[4-(2-pyrazin-2-ylethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine
CID 166248513
1-[(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)methyl]cyclopropane-1-carboxylic acid
CID 11603262
(2S)-1-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)butan-2-ol
CID 166370801
4-benzo[b][1,4]benzoxazepin-6-yl-N,N-dimethylpiperazine-1-sulfonamide
CID 166248279
sodium;azanide;4-(2-chloroethyl)morpholine;8-chloro-6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]benzo[b][1,4]benzoxazepine;8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine
CID 161347412
6-(4-propan-2-ylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CID 70036913
6-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]benzo[b][1,4]benzoxazepine
CID 46335399
2-[4-(8-chlorobenzo[b][1,4]benzoxazepin-6-yl)piperazin-1-yl]ethanesulfonamide
CID 166430615
2-[4-[3-(trifluoromethyl)benzo[b][1,4]benzoxazepin-6-yl]piperazin-1-yl]ethanol
CID 10222040
6-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]benzo[b][1,4]benzoxazepine
CID 166271418
6-(4-prop-2-enylpiperazin-1-yl)pyrido[3,4-b][1,4]benzoxazepine
CID 67943518

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one (CID 166248297) is 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one is O=C1NCCN1CCN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
The InChIKey is PJSIRNOCLQXUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22-23-9-10-27(22)16-13-25-11-14-26(15-12-25)21-17-5-1-3-7-19(17)29-20-8-4-2-6-18(20)24-21/h1-8H,9-16H2,(H,23,28).
What are the key properties of 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one?
1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 166248297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).