2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine

C14H19N3O — CID 11064673

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc2c(cc1C)N(C)CC(C1=NCCN1)O2
InChIInChI=1S/C14H19N3O/c1-9-6-11-12(7-10(9)2)18-13(8-17(11)3)14-15-4-5-16-14/h6-7,13H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyJSZHYRZFCNMKHX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.50
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine

2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 11064673) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine
PubChem CID11064673
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine
SMILESCc1cc2c(cc1C)N(C)CC(C1=NCCN1)O2
InChIInChI=1S/C14H19N3O/c1-9-6-11-12(7-10(9)2)18-13(8-17(11)3)14-15-4-5-16-14/h6-7,13H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyJSZHYRZFCNMKHX-UHFFFAOYSA-N
XLogP1.50
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.50
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)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine (CID 11064673) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine is Cc1cc2c(cc1C)N(C)CC(C1=NCCN1)O2.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is JSZHYRZFCNMKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-11-12(7-10(9)2)18-13(8-17(11)3)14-15-4-5-16-14/h6-7,13H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 245.33 g/mol, XLogP of 1.50, 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)-4,6,7-trimethyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 11064673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).