(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one

C17H13N3OS — CID 137238991

IUPAC(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
SMILESO=C1[C@@H](Cc2ccccc2)Nc2c3ccccc3nc(=S)n21
InChIInChI=1S/C17H13N3OS/c21-16-14(10-11-6-2-1-3-7-11)18-15-12-8-4-5-9-13(12)19-17(22)20(15)16/h1-9,14,18H,10H2/t14-/m1/s1
InChIKeyOFOHVVLNLFOVNK-CQSZACIVSA-N
MW307.38 g/mol
LogP3.44
Rot. Bonds2

About (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one

(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one (PubChem CID 137238991) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
PubChem CID137238991
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
SMILESO=C1[C@@H](Cc2ccccc2)Nc2c3ccccc3nc(=S)n21
InChIInChI=1S/C17H13N3OS/c21-16-14(10-11-6-2-1-3-7-11)18-15-12-8-4-5-9-13(12)19-17(22)20(15)16/h1-9,14,18H,10H2/t14-/m1/s1
InChIKeyOFOHVVLNLFOVNK-CQSZACIVSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
The IUPAC name of (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one (CID 137238991) is (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one is O=C1[C@@H](Cc2ccccc2)Nc2c3ccccc3nc(=S)n21.
What is the InChIKey of (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
The InChIKey is OFOHVVLNLFOVNK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H13N3OS/c21-16-14(10-11-6-2-1-3-7-11)18-15-12-8-4-5-9-13(12)19-17(22)20(15)16/h1-9,14,18H,10H2/t14-/m1/s1.
What are the key properties of (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one?
(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one has a molecular weight of 307.38 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 137238991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).