2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

C22H21N3O2S — CID 4305426

IUPAC2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N2C1=O
InChIInChI=1S/C22H21N3O2S/c1-3-14(2)19-21(27)25-20(24-19)16-11-7-8-12-17(16)23-22(25)28-13-18(26)15-9-5-4-6-10-15/h4-12,14,19H,3,13H2,1-2H3
InChIKeySUXOOFTXWNUEPC-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.31
Rot. Bonds5

About 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one

2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 4305426) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID4305426
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCCC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N2C1=O
InChIInChI=1S/C22H21N3O2S/c1-3-14(2)19-21(27)25-20(24-19)16-11-7-8-12-17(16)23-22(25)28-13-18(26)15-9-5-4-6-10-15/h4-12,14,19H,3,13H2,1-2H3
InChIKeySUXOOFTXWNUEPC-UHFFFAOYSA-N
XLogP4.31
TPSA62.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one (CID 4305426) is 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is CCC(C)C1N=C2c3ccccc3N=C(SCC(=O)c3ccccc3)N2C1=O.
What is the InChIKey of 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is SUXOOFTXWNUEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-3-14(2)19-21(27)25-20(24-19)16-11-7-8-12-17(16)23-22(25)28-13-18(26)15-9-5-4-6-10-15/h4-12,14,19H,3,13H2,1-2H3.
What are the key properties of 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one?
2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 391.50 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-phenacylsulfanyl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 4305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).