3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

C15H19N3O — CID 11043404

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1ccc2c3c1CCCN3CC(C1=NCCN1)O2
InChIInChI=1S/C15H19N3O/c1-10-4-5-12-14-11(10)3-2-8-18(14)9-13(19-12)15-16-6-7-17-15/h4-5,13H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyMBCWQFFIZUQOAP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.51
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene

3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (PubChem CID 11043404) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
PubChem CID11043404
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene
SMILESCc1ccc2c3c1CCCN3CC(C1=NCCN1)O2
InChIInChI=1S/C15H19N3O/c1-10-4-5-12-14-11(10)3-2-8-18(14)9-13(19-12)15-16-6-7-17-15/h4-5,13H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyMBCWQFFIZUQOAP-UHFFFAOYSA-N
XLogP1.51
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-Dihydro-1H-imidazol-2-yl)-4,6-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 9837537
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-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
10-(4,5-dihydro-1H-imidazol-2-yl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-triene
CID 11042529
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-6-trifluoromethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 11044324
3-(4,5-dihydro-1H-imidazol-2-yl)-10-methoxy-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraen-12-one
CID 11055234
2-(4,5-Dihydro-1H-imidazol-2-yl)-4,7-dimethyl-3,4-dihydro-2H-benzo[1,4]oxazine
CID 11138988
2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4,6,7,8,9-hexahydro-2H-naphtho[2,3-b][1,4]oxazine
CID 11747682
3-(4,5-dihydro-1H-imidazol-2-yl)-4-oxa-1-azatricyclo[7.4.1.05,14]tetradeca-5,7,9(14)-triene
CID 15407019
[2-(4,5-Dihydro-1H-imidazol-2-yl)-4-methyl-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl]-methanol
CID 10977777

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene (CID 11043404) is 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is Cc1ccc2c3c1CCCN3CC(C1=NCCN1)O2.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
The InChIKey is MBCWQFFIZUQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-4-5-12-14-11(10)3-2-8-18(14)9-13(19-12)15-16-6-7-17-15/h4-5,13H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene?
3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene has a molecular weight of 257.34 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)-8-methyl-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene is sourced from PubChem (CID 11043404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).