3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one

C10H9N3O2 — CID 170566423

IUPAC3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
SMILESCc1noc2cc3c(cc12)[nH]c(=O)n3C
InChIInChI=1S/C10H9N3O2/c1-5-6-3-7-8(4-9(6)15-12-5)13(2)10(14)11-7/h3-4H,1-2H3,(H,11,14)
InChIKeyHGWUFYFYJIHTGU-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.32
Rot. Bonds

About 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one

3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one (PubChem CID 170566423) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one.

Molecular Properties

Compound Name3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
PubChem CID170566423
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one
SMILESCc1noc2cc3c(cc12)[nH]c(=O)n3C
InChIInChI=1S/C10H9N3O2/c1-5-6-3-7-8(4-9(6)15-12-5)13(2)10(14)11-7/h3-4H,1-2H3,(H,11,14)
InChIKeyHGWUFYFYJIHTGU-UHFFFAOYSA-N
XLogP1.32
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
The IUPAC name of 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one (CID 170566423) is 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one.
What is the SMILES notation for 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
The canonical SMILES for 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one is Cc1noc2cc3c(cc12)[nH]c(=O)n3C.
What is the InChIKey of 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
The InChIKey is HGWUFYFYJIHTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-5-6-3-7-8(4-9(6)15-12-5)13(2)10(14)11-7/h3-4H,1-2H3,(H,11,14).
What are the key properties of 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one?
3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one has a molecular weight of 203.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5H-imidazo[4,5-f][1,2]benzoxazol-6-one is sourced from PubChem (CID 170566423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).