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

C25H18F2N4O2S — CID 163337649

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

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

2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 163337649) has the molecular formula C25H18F2N4O2S and a molecular weight of 476.51 g/mol. Its IUPAC name is 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
PubChem CID163337649
Molecular FormulaC25H18F2N4O2S
Molecular Weight476.51 g/mol
Exact Mass476.11
IUPAC Name2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide
SMILESO=C(CSC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)Nc1ccc(F)cc1F
InChIInChI=1S/C25H18F2N4O2S/c26-16-10-11-20(18(27)13-16)28-22(32)14-34-25-29-19-9-5-4-8-17(19)23-30-24(33)21(31(23)25)12-15-6-2-1-3-7-15/h1-11,13,21H,12,14H2,(H,28,32)
InChIKeyXDSHQWMTRSOURL-UHFFFAOYSA-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
N-(2,5-difluorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337033
2-[[(2R)-2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide
CID 92712162
N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337356
3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 163337413
N-(4-chlorophenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337180
N-butyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]propanamide
CID 156610961
2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylpropanamide
CID 163336504
N-(3,4-dimethylphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163337404
N-[(4-fluorophenyl)methyl]-2-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-2-oxo-3H-imidazo[1,2-c]quinazolin-3-yl]acetamide
CID 163337017
N-(3,5-dimethoxyphenyl)-2-[(2-oxo-3-phenyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163336537
N-(4-methoxyphenyl)-2-[(2-oxo-3-propyl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
CID 163335981

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide (CID 163337649) is 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide is O=C(CSC1=Nc2ccccc2C2=NC(=O)C(Cc3ccccc3)N12)Nc1ccc(F)cc1F.
What is the InChIKey of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is XDSHQWMTRSOURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N4O2S/c26-16-10-11-20(18(27)13-16)28-22(32)14-34-25-29-19-9-5-4-8-17(19)23-30-24(33)21(31(23)25)12-15-6-2-1-3-7-15/h1-11,13,21H,12,14H2,(H,28,32).
What are the key properties of 2-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide?
2-[(3-benzyl-2-oxo-3H-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-[(3-benzyl-2-oxo-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 163337649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).