2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide

C25H18F2N4O2S — CID 92712162

IUPAC2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)Nc1ccc(F)cc1F
InChIInChI=1S/C25H18F2N4O2S/c26-16-10-11-20(18(27)13-16)28-22(32)14-34-25-30-19-9-5-4-8-17(19)23-29-21(24(33)31(23)25)12-15-6-2-1-3-7-15/h1-11,13,21H,12,14H2,(H,28,32)/t21-/m1/s1
InChIKeyZZXSWXIHFVGDJH-OAQYLSRUSA-N
MW476.51 g/mol
LogP4.54
Rot. Bonds5

About 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide

2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 92712162) has the molecular formula C25H18F2N4O2S and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID92712162
Molecular FormulaC25H18F2N4O2S
Molecular Weight476.51 g/mol
Exact Mass476.11
IUPAC Name2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)Nc1ccc(F)cc1F
InChIInChI=1S/C25H18F2N4O2S/c26-16-10-11-20(18(27)13-16)28-22(32)14-34-25-30-19-9-5-4-8-17(19)23-29-21(24(33)31(23)25)12-15-6-2-1-3-7-15/h1-11,13,21H,12,14H2,(H,28,32)/t21-/m1/s1
InChIKeyZZXSWXIHFVGDJH-OAQYLSRUSA-N
XLogP4.54
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 20965581
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2-chloro-4-methylphenyl)acetamide
CID 92725947
2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 163337649
3-[(2S)-5-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 98202861
N-benzyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
CID 5019034
2-benzyl-5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104476
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2-fluorophenyl)butanamide
CID 20965642
2-benzyl-5-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 4104478
N-(2-methylphenyl)-2-[[(2S)-3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]acetamide
CID 92750712
N-[(4-fluorophenyl)methyl]-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349453
2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
CID 5181385
N-(5-chloro-2-methylphenyl)-2-[(3-oxo-2-propyl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 46349450

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 92712162) is 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide is O=C(CSC1=Nc2ccccc2C2=N[C@H](Cc3ccccc3)C(=O)N12)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is ZZXSWXIHFVGDJH-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H18F2N4O2S/c26-16-10-11-20(18(27)13-16)28-22(32)14-34-25-30-19-9-5-4-8-17(19)23-29-21(24(33)31(23)25)12-15-6-2-1-3-7-15/h1-11,13,21H,12,14H2,(H,28,32)/t21-/m1/s1.
What are the key properties of 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 476.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 92712162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).