3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one

C11H10BrN3O — CID 4313048

IUPAC3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CBr)CN2
InChIInChI=1S/C11H10BrN3O/c12-5-7-6-13-11-14-9-4-2-1-3-8(9)10(16)15(7)11/h1-4,7H,5-6H2,(H,13,14)
InChIKeyAASBVFFQGULZET-UHFFFAOYSA-N
MW280.12 g/mol
LogP1.76
Rot. Bonds1

About 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one

3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one (PubChem CID 4313048) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one.

Molecular Properties

Compound Name3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
PubChem CID4313048
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one
SMILESO=c1c2ccccc2nc2n1C(CBr)CN2
InChIInChI=1S/C11H10BrN3O/c12-5-7-6-13-11-14-9-4-2-1-3-8(9)10(16)15(7)11/h1-4,7H,5-6H2,(H,13,14)
InChIKeyAASBVFFQGULZET-UHFFFAOYSA-N
XLogP1.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
The IUPAC name of 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one (CID 4313048) is 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one.
What is the SMILES notation for 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
The canonical SMILES for 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one is O=c1c2ccccc2nc2n1C(CBr)CN2.
What is the InChIKey of 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
The InChIKey is AASBVFFQGULZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-5-7-6-13-11-14-9-4-2-1-3-8(9)10(16)15(7)11/h1-4,7H,5-6H2,(H,13,14).
What are the key properties of 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one?
3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one has a molecular weight of 280.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-2,3-dihydro-1H-imidazo[2,1-b]quinazolin-5-one is sourced from PubChem (CID 4313048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).