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

C18H19N3O — CID 13425090

IUPAC4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc(CN2CC(C3=NCCN3)Oc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-2-6-14(7-3-1)12-21-13-17(18-19-10-11-20-18)22-16-9-5-4-8-15(16)21/h1-9,17H,10-13H2,(H,19,20)
InChIKeyZUSUAMQUCDPBNO-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.46
Rot. Bonds3

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

4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 13425090) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine
PubChem CID13425090
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine
SMILESc1ccc(CN2CC(C3=NCCN3)Oc3ccccc32)cc1
InChIInChI=1S/C18H19N3O/c1-2-6-14(7-3-1)12-21-13-17(18-19-10-11-20-18)22-16-9-5-4-8-15(16)21/h1-9,17H,10-13H2,(H,19,20)
InChIKeyZUSUAMQUCDPBNO-UHFFFAOYSA-N
XLogP2.46
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-(2-(2-Fluorobenzyloxy)phenyl)piperazine
CID 45483446
5-Methoxy-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2,3-dihydroimidazo[1,2-c]quinazoline
CID 44310454
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-cyclohexanecarboxamidine
CID 10807433
2-(4,5-Dihydro-1H-imidazol-2-yl)-4,6-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 9837537
2-(4,5-Dihydro-1H-imidazol-2-yl)-6-fluoro-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 10354045
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-propyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 10868559
3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 10922759
2-(4,5-Dihydro-1H-imidazol-2-yl)-4,5-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 10933317
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-2-propyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 10967219
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihydro-2H-naphtho[1,2-b][1,4]oxazine
CID 11021868
2-(4,5-Dihydro-1H-imidazol-2-yl)-4,8-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 11031718

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine (CID 13425090) is 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine is c1ccc(CN2CC(C3=NCCN3)Oc3ccccc32)cc1.
What is the InChIKey of 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZUSUAMQUCDPBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-6-14(7-3-1)12-21-13-17(18-19-10-11-20-18)22-16-9-5-4-8-15(16)21/h1-9,17H,10-13H2,(H,19,20).
What are the key properties of 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine?
4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 293.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 13425090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).