7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide

C12H13Br2N3O — CID 135711129

IUPAC7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide
SMILESBr.Cc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C12H12BrN3O.BrH/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13;/h3-4,7H,5H2,1-2H3,(H,14,15,17);1H
InChIKeyMGYXDYAXFVTSMG-UHFFFAOYSA-N
MW375.06 g/mol
LogP2.66
Rot. Bonds

About 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide

7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide (PubChem CID 135711129) has the molecular formula C12H13Br2N3O and a molecular weight of 375.06 g/mol. Its IUPAC name is 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide.

Molecular Properties

Compound Name7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide
PubChem CID135711129
Molecular FormulaC12H13Br2N3O
Molecular Weight375.06 g/mol
Exact Mass372.94
IUPAC Name7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide
SMILESBr.Cc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C
InChIInChI=1S/C12H12BrN3O.BrH/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13;/h3-4,7H,5H2,1-2H3,(H,14,15,17);1H
InChIKeyMGYXDYAXFVTSMG-UHFFFAOYSA-N
XLogP2.66
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.06
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide?
The IUPAC name of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide (CID 135711129) is 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide.
What is the SMILES notation for 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide?
The canonical SMILES for 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide is Br.Cc1c(Br)ccc2c1CN1C(=N2)NC(=O)C1C.
What is the InChIKey of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide?
The InChIKey is MGYXDYAXFVTSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O.BrH/c1-6-8-5-16-7(2)11(17)15-12(16)14-10(8)4-3-9(6)13;/h3-4,7H,5H2,1-2H3,(H,14,15,17);1H.
What are the key properties of 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide?
7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide has a molecular weight of 375.06 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3,6-dimethyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one;hydrobromide is sourced from PubChem (CID 135711129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).