1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole

C18H17BrN2O2 — CID 12515577

IUPAC1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
SMILESBrCCOC1(c2ccccc2)OCCn2c1nc1ccccc12
InChIInChI=1S/C18H17BrN2O2/c19-10-12-22-18(14-6-2-1-3-7-14)17-20-15-8-4-5-9-16(15)21(17)11-13-23-18/h1-9H,10-13H2
InChIKeyRFRRYKRNUGQXHT-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.68
Rot. Bonds4

About 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole

1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole (PubChem CID 12515577) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole.

Molecular Properties

Compound Name1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
PubChem CID12515577
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole
SMILESBrCCOC1(c2ccccc2)OCCn2c1nc1ccccc12
InChIInChI=1S/C18H17BrN2O2/c19-10-12-22-18(14-6-2-1-3-7-14)17-20-15-8-4-5-9-16(15)21(17)11-13-23-18/h1-9H,10-13H2
InChIKeyRFRRYKRNUGQXHT-UHFFFAOYSA-N
XLogP3.68
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole?
The IUPAC name of 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole (CID 12515577) is 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole.
What is the SMILES notation for 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole?
The canonical SMILES for 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole is BrCCOC1(c2ccccc2)OCCn2c1nc1ccccc12.
What is the InChIKey of 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole?
The InChIKey is RFRRYKRNUGQXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2/c19-10-12-22-18(14-6-2-1-3-7-14)17-20-15-8-4-5-9-16(15)21(17)11-13-23-18/h1-9H,10-13H2.
What are the key properties of 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole?
1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole has a molecular weight of 373.25 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethoxy)-1-phenyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazole is sourced from PubChem (CID 12515577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).