3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane

C14H18N2O — CID 143857789

IUPAC3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane
SMILESCC.Cc1ccc2c(c1)OCc1c(C)ncn1-2
InChIInChI=1S/C12H12N2O.C2H6/c1-8-3-4-10-12(5-8)15-6-11-9(2)13-7-14(10)11;1-2/h3-5,7H,6H2,1-2H3;1-2H3
InChIKeySPJXZPGSIHPMIR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.41
Rot. Bonds

About 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane

3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane (PubChem CID 143857789) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane.

Molecular Properties

Compound Name3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane
PubChem CID143857789
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane
SMILESCC.Cc1ccc2c(c1)OCc1c(C)ncn1-2
InChIInChI=1S/C12H12N2O.C2H6/c1-8-3-4-10-12(5-8)15-6-11-9(2)13-7-14(10)11;1-2/h3-5,7H,6H2,1-2H3;1-2H3
InChIKeySPJXZPGSIHPMIR-UHFFFAOYSA-N
XLogP3.41
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

13-tert-butyl-5-methyl-10-oxa-2,4-diazatricyclo[9.4.0.02,6]pentadeca-1(11),3,5,12,14-pentaene
CID 58110677
(7-amino-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl) ethyl carbonate
CID 57177041
3-[2-(3-methylphenyl)ethynyl]-4H-imidazo[5,1-c][1,4]benzoxazine
CID 118732213
(S)-N-[(7-bromo-4H-imidazo[5,1-c][1,4]benzoxazin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 159671785
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367
2-(4,5-dimethylimidazol-1-yl)-5-methylbenzonitrile
CID 107928017
3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 83752703
(1S)-1-(7-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)ethanamine
CID 153219508
15-methoxy-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
CID 46882266
4-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)cyclohexan-1-ol
CID 71231657
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-7-methyl-2,3-dihydro-1,4-benzoxazine
CID 154737750
7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 58184388

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane?
The IUPAC name of 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane (CID 143857789) is 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane.
What is the SMILES notation for 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane?
The canonical SMILES for 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane is CC.Cc1ccc2c(c1)OCc1c(C)ncn1-2.
What is the InChIKey of 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane?
The InChIKey is SPJXZPGSIHPMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.C2H6/c1-8-3-4-10-12(5-8)15-6-11-9(2)13-7-14(10)11;1-2/h3-5,7H,6H2,1-2H3;1-2H3.
What are the key properties of 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane?
3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane has a molecular weight of 230.31 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4H-imidazo[5,1-c][1,4]benzoxazine;ethane is sourced from PubChem (CID 143857789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).