2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine

C12H15N3O — CID 10242469

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(C2=NCCN2)Oc2ccccc21
InChIInChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14)
InChIKeyXUDJUNXWEZQPME-UHFFFAOYSA-N
MW217.27 g/mol
LogP0.89
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine

2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 10242469) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID10242469
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(C2=NCCN2)Oc2ccccc21
InChIInChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14)
InChIKeyXUDJUNXWEZQPME-UHFFFAOYSA-N
XLogP0.89
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 10242469) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1CC(C2=NCCN2)Oc2ccccc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is XUDJUNXWEZQPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-15-8-11(12-13-6-7-14-12)16-10-5-3-2-4-9(10)15/h2-5,11H,6-8H2,1H3,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 217.27 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 10242469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).