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

C23H20N6O2S — CID 3243616

IUPAC2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)n[nH]1
InChIInChI=1S/C23H20N6O2S/c1-14-11-19(28-27-14)26-20(30)13-32-23-25-17-10-6-5-9-16(17)21-24-18(22(31)29(21)23)12-15-7-3-2-4-8-15/h2-11,18H,12-13H2,1H3,(H2,26,27,28,30)
InChIKeyCEDSXKNLVNWYSN-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.29
Rot. Bonds5

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

2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 3243616) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID3243616
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC Name2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)n[nH]1
InChIInChI=1S/C23H20N6O2S/c1-14-11-19(28-27-14)26-20(30)13-32-23-25-17-10-6-5-9-16(17)21-24-18(22(31)29(21)23)12-15-7-3-2-4-8-15/h2-11,18H,12-13H2,1H3,(H2,26,27,28,30)
InChIKeyCEDSXKNLVNWYSN-UHFFFAOYSA-N
XLogP3.29
TPSA102.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 3243616) is 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)n[nH]1.
What is the InChIKey of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is CEDSXKNLVNWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c1-14-11-19(28-27-14)26-20(30)13-32-23-25-17-10-6-5-9-16(17)21-24-18(22(31)29(21)23)12-15-7-3-2-4-8-15/h2-11,18H,12-13H2,1H3,(H2,26,27,28,30).
What are the key properties of 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 444.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 3243616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).