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

C15H21N3O — CID 10967219

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine
SMILESCCCC1(C2=NCCN2)CN(C)c2ccccc2O1
InChIInChI=1S/C15H21N3O/c1-3-8-15(14-16-9-10-17-14)11-18(2)12-6-4-5-7-13(12)19-15/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAVZLVMXUXUKAGP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.06
Rot. Bonds3

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

2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine (PubChem CID 10967219) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine
PubChem CID10967219
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine
SMILESCCCC1(C2=NCCN2)CN(C)c2ccccc2O1
InChIInChI=1S/C15H21N3O/c1-3-8-15(14-16-9-10-17-14)11-18(2)12-6-4-5-7-13(12)19-15/h4-7H,3,8-11H2,1-2H3,(H,16,17)
InChIKeyAVZLVMXUXUKAGP-UHFFFAOYSA-N
XLogP2.06
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.06
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-methyl-2-propyl-3H-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine (CID 10967219) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine is CCCC1(C2=NCCN2)CN(C)c2ccccc2O1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine?
The InChIKey is AVZLVMXUXUKAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-8-15(14-16-9-10-17-14)11-18(2)12-6-4-5-7-13(12)19-15/h4-7H,3,8-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3H-1,4-benzoxazine has a molecular weight of 259.35 g/mol, XLogP of 2.06, 3 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-methyl-2-propyl-3H-1,4-benzoxazine is sourced from PubChem (CID 10967219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).