7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C17H15N3O2 — CID 167974408

IUPAC7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCn1cnc2ccc(-c3ccc4c(c3)C(=O)NCCO4)cc21
InChIInChI=1S/C17H15N3O2/c1-20-10-19-14-4-2-12(9-15(14)20)11-3-5-16-13(8-11)17(21)18-6-7-22-16/h2-5,8-10H,6-7H2,1H3,(H,18,21)
InChIKeyXRRNLKWAPDKABH-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.36
Rot. Bonds1

About 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one

7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 167974408) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
PubChem CID167974408
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESCn1cnc2ccc(-c3ccc4c(c3)C(=O)NCCO4)cc21
InChIInChI=1S/C17H15N3O2/c1-20-10-19-14-4-2-12(9-15(14)20)11-3-5-16-13(8-11)17(21)18-6-7-22-16/h2-5,8-10H,6-7H2,1H3,(H,18,21)
InChIKeyXRRNLKWAPDKABH-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one with MolForge

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Related Compounds

7-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-8-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 167925012
1-methyl-6-phenylbenzimidazole
CID 135028518
1-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)benzimidazole
CID 90748214
7-nitroso-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 118281440
7-[2-(methylamino)ethoxy]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 83853247
8-fluoro-7-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 167799916
7-(hydroxymethyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526353
7,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59548550
7-(1-bromo-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526654
1-methyl-3-(3-methylbenzimidazol-5-yl)pyrazol-5-amine
CID 117327059
7-[2-(azetidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 165397363
7-[bromo-(1-methylcyclopentyl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526671

Frequently Asked Questions

What is the IUPAC name of 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The IUPAC name of 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 167974408) is 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one is Cn1cnc2ccc(-c3ccc4c(c3)C(=O)NCCO4)cc21.
What is the InChIKey of 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The InChIKey is XRRNLKWAPDKABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-20-10-19-14-4-2-12(9-15(14)20)11-3-5-16-13(8-11)17(21)18-6-7-22-16/h2-5,8-10H,6-7H2,1H3,(H,18,21).
What are the key properties of 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 293.33 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methylbenzimidazol-5-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 167974408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).