2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide

C17H16F2N6O4 — CID 146267332

IUPAC2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
SMILESNC(=O)CNc1ccc2c(c1)OCCn1cc(N3C(=O)NC(=O)C3C(F)F)nc1-2
InChIInChI=1S/C17H16F2N6O4/c18-14(19)13-16(27)23-17(28)25(13)12-7-24-3-4-29-10-5-8(21-6-11(20)26)1-2-9(10)15(24)22-12/h1-2,5,7,13-14,21H,3-4,6H2,(H2,20,26)(H,23,27,28)
InChIKeyLCDTZHOSKNHDMB-UHFFFAOYSA-N
MW406.35 g/mol
LogP0.53
Rot. Bonds5

About 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide

2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide (PubChem CID 146267332) has the molecular formula C17H16F2N6O4 and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
PubChem CID146267332
Molecular FormulaC17H16F2N6O4
Molecular Weight406.35 g/mol
Exact Mass406.12
IUPAC Name2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
SMILESNC(=O)CNc1ccc2c(c1)OCCn1cc(N3C(=O)NC(=O)C3C(F)F)nc1-2
InChIInChI=1S/C17H16F2N6O4/c18-14(19)13-16(27)23-17(28)25(13)12-7-24-3-4-29-10-5-8(21-6-11(20)26)1-2-9(10)15(24)22-12/h1-2,5,7,13-14,21H,3-4,6H2,(H2,20,26)(H,23,27,28)
InChIKeyLCDTZHOSKNHDMB-UHFFFAOYSA-N
XLogP0.53
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide with MolForge

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Related Compounds

2-[[4-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-yl]amino]acetamide
CID 146267273
2-cyclopropyl-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
CID 146234413
2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-3-fluoro-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
CID 146267102
2-[[2-[(1,1-difluoro-3-methylsulfanylpropan-2-yl)-formylamino]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide
CID 146267150
azanium (2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoate
CID 142375505
(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoic acid
CID 135123114
(2S)-2-[[2-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanoic acid
CID 176675069
2-[[2-[(4S)-4-(fluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
CID 139433000
(2R)-3-[2-[(2S)-2-(difluoromethyl)-4-methyl-6-oxopiperazin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]-2-methylpropanamide
CID 159490446
(2S)-2-[[2-(5,5-difluoro-2-oxo-1,3-oxazepan-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
CID 174994019
(2S)-2-[[2-[4-(difluoromethyl)-2-oxo-1,3-thiazepin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
CID 174996502
(2S)-2-[[4-[4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-9-oxa-3,6,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-12-yl]amino]propanamide
CID 166662197

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
The IUPAC name of 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide (CID 146267332) is 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide.
What is the SMILES notation for 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
The canonical SMILES for 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide is NC(=O)CNc1ccc2c(c1)OCCn1cc(N3C(=O)NC(=O)C3C(F)F)nc1-2.
What is the InChIKey of 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
The InChIKey is LCDTZHOSKNHDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O4/c18-14(19)13-16(27)23-17(28)25(13)12-7-24-3-4-29-10-5-8(21-6-11(20)26)1-2-9(10)15(24)22-12/h1-2,5,7,13-14,21H,3-4,6H2,(H2,20,26)(H,23,27,28).
What are the key properties of 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide?
2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide has a molecular weight of 406.35 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[5-(difluoromethyl)-2,4-dioxoimidazolidin-1-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]acetamide is sourced from PubChem (CID 146267332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).