2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

C21H22FN5O — CID 2768856

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(c3ccc(F)cc3)CC1)N2
InChIInChI=1S/C21H22FN5O/c22-15-5-7-17(8-6-15)26-11-9-25(10-12-26)13-16-14-27-20(23-16)18-3-1-2-4-19(18)24-21(27)28/h1-8,16,23H,9-14H2
InChIKeyXHZHJSMFIZKCEM-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.15
Rot. Bonds3

About 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 2768856) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID2768856
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(c3ccc(F)cc3)CC1)N2
InChIInChI=1S/C21H22FN5O/c22-15-5-7-17(8-6-15)26-11-9-25(10-12-26)13-16-14-27-20(23-16)18-3-1-2-4-19(18)24-21(27)28/h1-8,16,23H,9-14H2
InChIKeyXHZHJSMFIZKCEM-UHFFFAOYSA-N
XLogP2.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 2768856) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(c3ccc(F)cc3)CC1)N2.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is XHZHJSMFIZKCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-15-5-7-17(8-6-15)26-11-9-25(10-12-26)13-16-14-27-20(23-16)18-3-1-2-4-19(18)24-21(27)28/h1-8,16,23H,9-14H2.
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 379.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 2768856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).