(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

C29H26N4O2S — CID 92751138

IUPAC(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C29H26N4O2S/c1-2-25(28(35)32-17-16-20-12-6-9-15-24(20)32)36-29-31-22-14-8-7-13-21(22)26-30-23(27(34)33(26)29)18-19-10-4-3-5-11-19/h3-15,23,25H,2,16-18H2,1H3/t23-,25+/m0/s1
InChIKeyACBIYABAZPIYST-UKILVPOCSA-N
MW494.62 g/mol
LogP4.99
Rot. Bonds5

About (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 92751138) has the molecular formula C29H26N4O2S and a molecular weight of 494.62 g/mol. Its IUPAC name is (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID92751138
Molecular FormulaC29H26N4O2S
Molecular Weight494.62 g/mol
Exact Mass494.18
IUPAC Name(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C29H26N4O2S/c1-2-25(28(35)32-17-16-20-12-6-9-15-24(20)32)36-29-31-22-14-8-7-13-21(22)26-30-23(27(34)33(26)29)18-19-10-4-3-5-11-19/h3-15,23,25H,2,16-18H2,1H3/t23-,25+/m0/s1
InChIKeyACBIYABAZPIYST-UKILVPOCSA-N
XLogP4.99
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.62
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one with MolForge

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Related Compounds

5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 50798517
(2R)-5-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750917
(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750919
(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750828
(2R)-2-[[(2S)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(4-chlorophenyl)butanamide
CID 92751122
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-dimethoxyphenyl)butanamide
CID 98331508
2-benzyl-5-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 5190912
(2S)-2-benzyl-5-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92694429
(2S)-2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 92751149
2-benzyl-5-[(4-tert-butylphenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104479
(2S)-N-cyclohexyl-2-[[(2R)-2-[2-(cyclohexylamino)-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 92694552
(2S)-N-(4-ethylphenyl)-2-[[(2R)-3-oxo-2-[2-oxo-2-(2-phenylethylamino)ethyl]-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]butanamide
CID 98359220

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 92751138) is (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is CC[C@@H](SC1=Nc2ccccc2C2=N[C@@H](Cc3ccccc3)C(=O)N12)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is ACBIYABAZPIYST-UKILVPOCSA-N. The full InChI is InChI=1S/C29H26N4O2S/c1-2-25(28(35)32-17-16-20-12-6-9-15-24(20)32)36-29-31-22-14-8-7-13-21(22)26-30-23(27(34)33(26)29)18-19-10-4-3-5-11-19/h3-15,23,25H,2,16-18H2,1H3/t23-,25+/m0/s1.
What are the key properties of (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 494.62 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 92751138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).