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

C12H12N2O — CID 123971115

IUPAC6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESCC1Cn2ccnc2-c2ccccc2O1
InChIInChI=1S/C12H12N2O/c1-9-8-14-7-6-13-12(14)10-4-2-3-5-11(10)15-9/h2-7,9H,8H2,1H3
InChIKeyZSGIDODQJGFFGP-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.33
Rot. Bonds

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

6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (PubChem CID 123971115) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.

Molecular Properties

Compound Name6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
PubChem CID123971115
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESCC1Cn2ccnc2-c2ccccc2O1
InChIInChI=1S/C12H12N2O/c1-9-8-14-7-6-13-12(14)10-4-2-3-5-11(10)15-9/h2-7,9H,8H2,1H3
InChIKeyZSGIDODQJGFFGP-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The IUPAC name of 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (CID 123971115) is 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.
What is the SMILES notation for 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The canonical SMILES for 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is CC1Cn2ccnc2-c2ccccc2O1.
What is the InChIKey of 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The InChIKey is ZSGIDODQJGFFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-9-8-14-7-6-13-12(14)10-4-2-3-5-11(10)15-9/h2-7,9H,8H2,1H3.
What are the key properties of 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine has a molecular weight of 200.24 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is sourced from PubChem (CID 123971115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).