2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C26H24N4O2S2 — CID 3432957

IUPAC2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
InChIInChI=1S/C26H24N4O2S2/c1-16-9-10-18(17(2)12-16)15-34-26-29-21-8-4-3-7-20(21)24-28-22(25(32)30(24)26)13-23(31)27-14-19-6-5-11-33-19/h3-12,22H,13-15H2,1-2H3,(H,27,31)
InChIKeyILQBTJWDTHYRJX-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.96
Rot. Bonds6

About 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3432957) has the molecular formula C26H24N4O2S2 and a molecular weight of 488.64 g/mol. Its IUPAC name is 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3432957
Molecular FormulaC26H24N4O2S2
Molecular Weight488.64 g/mol
Exact Mass488.13
IUPAC Name2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1
InChIInChI=1S/C26H24N4O2S2/c1-16-9-10-18(17(2)12-16)15-34-26-29-21-8-4-3-7-20(21)24-28-22(25(32)30(24)26)13-23(31)27-14-19-6-5-11-33-19/h3-12,22H,13-15H2,1-2H3,(H,27,31)
InChIKeyILQBTJWDTHYRJX-UHFFFAOYSA-N
XLogP4.96
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 3432957) is 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4cccs4)C(=O)N23)c(C)c1.
What is the InChIKey of 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is ILQBTJWDTHYRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S2/c1-16-9-10-18(17(2)12-16)15-34-26-29-21-8-4-3-7-20(21)24-28-22(25(32)30(24)26)13-23(31)27-14-19-6-5-11-33-19/h3-12,22H,13-15H2,1-2H3,(H,27,31).
What are the key properties of 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 488.64 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,4-dimethylphenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3432957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).