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

C12H14ClN3O — CID 11075930

IUPAC6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(C2=NCCN2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyNVFOWHNUEYHAAI-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.54
Rot. Bonds1

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

6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 11075930) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine
PubChem CID11075930
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine
SMILESCN1CC(C2=NCCN2)Oc2ccc(Cl)cc21
InChIInChI=1S/C12H14ClN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15)
InChIKeyNVFOWHNUEYHAAI-UHFFFAOYSA-N
XLogP1.54
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-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 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine (CID 11075930) is 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine is CN1CC(C2=NCCN2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is NVFOWHNUEYHAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-16-7-11(12-14-4-5-15-12)17-10-3-2-8(13)6-9(10)16/h2-3,6,11H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine?
6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 251.72 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 11075930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).