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

C13H17N3O — CID 11770304

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine
SMILESCN1CC(C)(C2=NCCN2)Oc2ccccc21
InChIInChI=1S/C13H17N3O/c1-13(12-14-7-8-15-12)9-16(2)10-5-3-4-6-11(10)17-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyWBVNAGISCJISQM-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.28
Rot. Bonds1

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

2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine (PubChem CID 11770304) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine
PubChem CID11770304
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine
SMILESCN1CC(C)(C2=NCCN2)Oc2ccccc21
InChIInChI=1S/C13H17N3O/c1-13(12-14-7-8-15-12)9-16(2)10-5-3-4-6-11(10)17-13/h3-6H,7-9H2,1-2H3,(H,14,15)
InChIKeyWBVNAGISCJISQM-UHFFFAOYSA-N
XLogP1.28
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.28
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)-2,4-dimethyl-3H-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine (CID 11770304) is 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine is CN1CC(C)(C2=NCCN2)Oc2ccccc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine?
The InChIKey is WBVNAGISCJISQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-13(12-14-7-8-15-12)9-16(2)10-5-3-4-6-11(10)17-13/h3-6H,7-9H2,1-2H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-2,4-dimethyl-3H-1,4-benzoxazine has a molecular weight of 231.30 g/mol, XLogP of 1.28, 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)-2,4-dimethyl-3H-1,4-benzoxazine is sourced from PubChem (CID 11770304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).