2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one

C16H11N3OS — CID 4201045

IUPAC2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
SMILESO=C1C(c2ccccc2)Nc2c3ccccc3nc(=S)n21
InChIInChI=1S/C16H11N3OS/c20-15-13(10-6-2-1-3-7-10)18-14-11-8-4-5-9-12(11)17-16(21)19(14)15/h1-9,13,18H
InChIKeyKSZWCHFQDUGTSU-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.57
Rot. Bonds1

About 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one

2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one (PubChem CID 4201045) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
PubChem CID4201045
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
SMILESO=C1C(c2ccccc2)Nc2c3ccccc3nc(=S)n21
InChIInChI=1S/C16H11N3OS/c20-15-13(10-6-2-1-3-7-10)18-14-11-8-4-5-9-12(11)17-16(21)19(14)15/h1-9,13,18H
InChIKeyKSZWCHFQDUGTSU-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexyl-5-phenyl-2-thioxo-imidazolidin-4-one
CID 2901045
3-Heptyl-5-phenyl-2-sulfanylideneimidazolidin-4-one
CID 11687883
N-(4-methylbenzyl)-2-(3-oxo-5-thioxo-2,3,5,6-tetrahydroimidazo[1,2-c]quinazolin-2-yl)acetamide
CID 3568644
N-benzyl-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide
CID 3568636
5-Phenyl-2-thioxoimidazolidin-4-one
CID 4032669
N-[(4-fluorophenyl)methyl]-2-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}acetamide
CID 4068867
N-[(4-fluorophenyl)methyl]-3-{3-oxo-5-sulfanylidene-2H,3H,5H,6H-imidazo[1,2-c]quinazolin-2-yl}propanamide
CID 4068869
2-(3-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123170753
2-(2,6-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123418421
2-(2-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123533002
2-(4-fluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123581598
2-(2,4-difluorophenyl)-3,9a-dihydro-2H-imidazo[1,2-a]quinoxalin-5-ium-1-one
CID 123667773

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one (CID 4201045) is 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one is O=C1C(c2ccccc2)Nc2c3ccccc3nc(=S)n21.
What is the InChIKey of 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
The InChIKey is KSZWCHFQDUGTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-15-13(10-6-2-1-3-7-10)18-14-11-8-4-5-9-12(11)17-16(21)19(14)15/h1-9,13,18H.
What are the key properties of 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one has a molecular weight of 293.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 4201045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).