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

C14H19N3O — CID 10868559

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine
SMILESCCCN1CC(C2=NCCN2)Oc2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-9-17-10-13(14-15-7-8-16-14)18-12-6-4-3-5-11(12)17/h3-6,13H,2,7-10H2,1H3,(H,15,16)
InChIKeyPAQQKLNYFIWNPQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.67
Rot. Bonds3

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

2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 10868559) 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-propyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine
PubChem CID10868559
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine
SMILESCCCN1CC(C2=NCCN2)Oc2ccccc21
InChIInChI=1S/C14H19N3O/c1-2-9-17-10-13(14-15-7-8-16-14)18-12-6-4-3-5-11(12)17/h3-6,13H,2,7-10H2,1H3,(H,15,16)
InChIKeyPAQQKLNYFIWNPQ-UHFFFAOYSA-N
XLogP1.67
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.67
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-propyl-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine (CID 10868559) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine is CCCN1CC(C2=NCCN2)Oc2ccccc21.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
The InChIKey is PAQQKLNYFIWNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-9-17-10-13(14-15-7-8-16-14)18-12-6-4-3-5-11(12)17/h3-6,13H,2,7-10H2,1H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-propyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 245.33 g/mol, XLogP of 1.67, 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-propyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 10868559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).