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

C12H16N4O — CID 22598411

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCN1CCOc2ccc(NC3=NCCN3)cc21
InChIInChI=1S/C12H16N4O/c1-16-6-7-17-11-3-2-9(8-10(11)16)15-12-13-4-5-14-12/h2-3,8H,4-7H2,1H3,(H2,13,14,15)
InChIKeyPJTONEOEWDRNIC-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.89
Rot. Bonds1

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

N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine (PubChem CID 22598411) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
PubChem CID22598411
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine
SMILESCN1CCOc2ccc(NC3=NCCN3)cc21
InChIInChI=1S/C12H16N4O/c1-16-6-7-17-11-3-2-9(8-10(11)16)15-12-13-4-5-14-12/h2-3,8H,4-7H2,1H3,(H2,13,14,15)
InChIKeyPJTONEOEWDRNIC-UHFFFAOYSA-N
XLogP0.89
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine (CID 22598411) is N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine is CN1CCOc2ccc(NC3=NCCN3)cc21.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
The InChIKey is PJTONEOEWDRNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-6-7-17-11-3-2-9(8-10(11)16)15-12-13-4-5-14-12/h2-3,8H,4-7H2,1H3,(H2,13,14,15).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine has a molecular weight of 232.29 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-amine is sourced from PubChem (CID 22598411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).