(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione

C17H11N3O2 — CID 135493945

IUPAC(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
SMILESO=c1[nH]c2nc3ccccc3c(=O)n2/c1=C/c1ccccc1
InChIInChI=1S/C17H11N3O2/c21-15-14(10-11-6-2-1-3-7-11)20-16(22)12-8-4-5-9-13(12)18-17(20)19-15/h1-10H,(H,18,19,21)/b14-10+
InChIKeyAQWOGTVZOMEHRH-GXDHUFHOSA-N
MW289.29 g/mol
LogP1.08
Rot. Bonds1

About (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione

(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione (PubChem CID 135493945) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione.

Molecular Properties

Compound Name(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
PubChem CID135493945
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione
SMILESO=c1[nH]c2nc3ccccc3c(=O)n2/c1=C/c1ccccc1
InChIInChI=1S/C17H11N3O2/c21-15-14(10-11-6-2-1-3-7-11)20-16(22)12-8-4-5-9-13(12)18-17(20)19-15/h1-10H,(H,18,19,21)/b14-10+
InChIKeyAQWOGTVZOMEHRH-GXDHUFHOSA-N
XLogP1.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3E)-3-(furan-2-ylmethylidene)-1H-imidazo[2,1-b]quinazoline-2,5-dione
CID 135493950
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazo[2,1-b]quinazoline-3,5-dione
CID 56694885
8,9-dichloro-6H-benzimidazolo[2,1-b]quinazolin-12-one
CID 21489217
CID 156870601
CID 156870601
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
ethane;5H-quinoxalino[2,1-b]quinazoline-6,12-dione
CID 156863175
(3Z,6Z)-3,6-dibenzylidene-1-prop-2-enylpiperazine-2,5-dione
CID 132838135
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
(3E)-3-benzylidene-1,1-dimethyl-[1,3]thiazolo[4,3-b]quinazolin-9-one
CID 50990378
9-methylpyrido[2,1-b]quinazolin-11-one
CID 11321767
3-[(E)-benzylideneamino]-2-(bromomethyl)quinazolin-4-one
CID 25197636
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373

Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione?
The IUPAC name of (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione (CID 135493945) is (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione.
What is the SMILES notation for (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione?
The canonical SMILES for (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione is O=c1[nH]c2nc3ccccc3c(=O)n2/c1=C/c1ccccc1.
What is the InChIKey of (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione?
The InChIKey is AQWOGTVZOMEHRH-GXDHUFHOSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-15-14(10-11-6-2-1-3-7-11)20-16(22)12-8-4-5-9-13(12)18-17(20)19-15/h1-10H,(H,18,19,21)/b14-10+.
What are the key properties of (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione?
(3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione has a molecular weight of 289.29 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidene-1H-imidazo[2,1-b]quinazoline-2,5-dione is sourced from PubChem (CID 135493945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).