5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one

C20H18FN3OS — CID 6624279

IUPAC5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC(C)C1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O
InChIInChI=1S/C20H18FN3OS/c1-12(2)17-19(25)24-18(23-17)14-8-4-6-10-16(14)22-20(24)26-11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3
InChIKeyXNZUVVBZJHZUBO-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.37
Rot. Bonds3

About 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one

5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 6624279) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID6624279
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
SMILESCC(C)C1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O
InChIInChI=1S/C20H18FN3OS/c1-12(2)17-19(25)24-18(23-17)14-8-4-6-10-16(14)22-20(24)26-11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3
InChIKeyXNZUVVBZJHZUBO-UHFFFAOYSA-N
XLogP4.37
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one (CID 6624279) is 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one is CC(C)C1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is XNZUVVBZJHZUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c1-12(2)17-19(25)24-18(23-17)14-8-4-6-10-16(14)22-20(24)26-11-13-7-3-5-9-15(13)21/h3-10,12,17H,11H2,1-2H3.
What are the key properties of 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one?
5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 367.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfanyl]-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 6624279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).