2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine

C13H17N3O2 — CID 11053968

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc2c(c1)N(C)CC(C1=NCCN1)O2
InChIInChI=1S/C13H17N3O2/c1-16-8-12(13-14-5-6-15-13)18-11-4-3-9(17-2)7-10(11)16/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyTZTTVGMGHGDZRY-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine

2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 11053968) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID11053968
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCOc1ccc2c(c1)N(C)CC(C1=NCCN1)O2
InChIInChI=1S/C13H17N3O2/c1-16-8-12(13-14-5-6-15-13)18-11-4-3-9(17-2)7-10(11)16/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyTZTTVGMGHGDZRY-UHFFFAOYSA-N
XLogP0.89
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine 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 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 11053968) is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine is COc1ccc2c(c1)N(C)CC(C1=NCCN1)O2.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is TZTTVGMGHGDZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-8-12(13-14-5-6-15-13)18-11-4-3-9(17-2)7-10(11)16/h3-4,7,12H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 247.30 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 11053968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).