2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol

C12H15N3O2 — CID 18788343

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol
SMILESCN1CC(C2=NCCN2)Oc2ccc(O)cc21
InChIInChI=1S/C12H15N3O2/c1-15-7-11(12-13-4-5-14-12)17-10-3-2-8(16)6-9(10)15/h2-3,6,11,16H,4-5,7H2,1H3,(H,13,14)
InChIKeyKHPAPEKCBGLYMH-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.59
Rot. Bonds1

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

2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol (PubChem CID 18788343) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol
PubChem CID18788343
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol
SMILESCN1CC(C2=NCCN2)Oc2ccc(O)cc21
InChIInChI=1S/C12H15N3O2/c1-15-7-11(12-13-4-5-14-12)17-10-3-2-8(16)6-9(10)15/h2-3,6,11,16H,4-5,7H2,1H3,(H,13,14)
InChIKeyKHPAPEKCBGLYMH-UHFFFAOYSA-N
XLogP0.59
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-benzoxazin-6-ol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol (CID 18788343) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol is CN1CC(C2=NCCN2)Oc2ccc(O)cc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol?
The InChIKey is KHPAPEKCBGLYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-15-7-11(12-13-4-5-14-12)17-10-3-2-8(16)6-9(10)15/h2-3,6,11,16H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol has a molecular weight of 233.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 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)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol is sourced from PubChem (CID 18788343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).