5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one

C23H22N2O — CID 175909083

IUPAC5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one
SMILESO=C1NCCc2ccccc2C1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O/c26-23-22(20-14-8-7-9-17(20)15-16-24-23)25-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21-22,25H,15-16H2,(H,24,26)
InChIKeyVXTHESPFMHIEBG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.78
Rot. Bonds4

About 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one

5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one (PubChem CID 175909083) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one.

Molecular Properties

Compound Name5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one
PubChem CID175909083
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one
SMILESO=C1NCCc2ccccc2C1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N2O/c26-23-22(20-14-8-7-9-17(20)15-16-24-23)25-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21-22,25H,15-16H2,(H,24,26)
InChIKeyVXTHESPFMHIEBG-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)carbamic acid
CID 57368058
5-amino-1,2,3,5-tetrahydro-3-benzazepin-4-one
CID 22312263
(3S)-3-[[(S)-(4-bromophenyl)-phenylmethyl]amino]pyrrolidin-2-one
CID 97325292
7-methyl-N-(4-oxo-1,2,3,5-tetrahydro-3-benzazepin-5-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 146644405
1,2,3,5,6,7-hexahydro-3,5-benzodiazonin-4-one
CID 22722283
(2S)-2-(1,2,3,4-tetrahydroisoquinolin-1-ylamino)propanoic acid
CID 165129461
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 95326856
argon;1,2,3,4-tetrahydroisoquinoline-1-carboxylic acid
CID 160886017
3-[hydroxy(phenyl)methyl]pyrrolidin-2-one
CID 142674016
N-[(1S)-1-phenylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 78956142
2,3,4,5-tetrahydro-1H-2-benzazepine-1-carboxylic acid
CID 83679707

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
The IUPAC name of 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one (CID 175909083) is 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one.
What is the SMILES notation for 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
The canonical SMILES for 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one is O=C1NCCc2ccccc2C1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
The InChIKey is VXTHESPFMHIEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c26-23-22(20-14-8-7-9-17(20)15-16-24-23)25-21(18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-14,21-22,25H,15-16H2,(H,24,26).
What are the key properties of 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one has a molecular weight of 342.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylamino)-1,2,3,5-tetrahydro-3-benzazepin-4-one is sourced from PubChem (CID 175909083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).