2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

C13H14N2O — CID 73356523

IUPAC2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESCc1ccc2c(c1)OCCn1cc(C)nc1-2
InChIInChI=1S/C13H14N2O/c1-9-3-4-11-12(7-9)16-6-5-15-8-10(2)14-13(11)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVXFPBEUQDVAYIZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.56
Rot. Bonds

About 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (PubChem CID 73356523) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.

Molecular Properties

Compound Name2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
PubChem CID73356523
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESCc1ccc2c(c1)OCCn1cc(C)nc1-2
InChIInChI=1S/C13H14N2O/c1-9-3-4-11-12(7-9)16-6-5-15-8-10(2)14-13(11)15/h3-4,7-8H,5-6H2,1-2H3
InChIKeyVXFPBEUQDVAYIZ-UHFFFAOYSA-N
XLogP2.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The IUPAC name of 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (CID 73356523) is 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.
What is the SMILES notation for 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The canonical SMILES for 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is Cc1ccc2c(c1)OCCn1cc(C)nc1-2.
What is the InChIKey of 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The InChIKey is VXFPBEUQDVAYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-3-4-11-12(7-9)16-6-5-15-8-10(2)14-13(11)15/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine has a molecular weight of 214.27 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is sourced from PubChem (CID 73356523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).