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

C22H24FN5O — CID 135848144

IUPAC2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(Cc3ccc(F)cc3)CC1)N2
InChIInChI=1S/C22H24FN5O/c23-17-7-5-16(6-8-17)13-26-9-11-27(12-10-26)14-18-15-28-21(24-18)19-3-1-2-4-20(19)25-22(28)29/h1-8,18,24H,9-15H2
InChIKeyNUTBCWXRHYBXGT-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.15
Rot. Bonds4

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

2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 135848144) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID135848144
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC Name2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(Cc3ccc(F)cc3)CC1)N2
InChIInChI=1S/C22H24FN5O/c23-17-7-5-16(6-8-17)13-26-9-11-27(12-10-26)14-18-15-28-21(24-18)19-3-1-2-4-20(19)25-22(28)29/h1-8,18,24H,9-15H2
InChIKeyNUTBCWXRHYBXGT-UHFFFAOYSA-N
XLogP2.15
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8R)-8-ethyl-4-methyl-2-phenyl-3a,7,8,9b-tetrahydro-1H-imidazo[2,1-f]purin-5-one
CID 168274222
2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
2-[(4-benzylpiperidin-1-yl)methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135399708
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
2-{[4-(4-fluorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768856
2-[(4-benzhydrylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768885
(2R)-2-[[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]methyl]-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-triene-5,11-dione
CID 91800698
2-{[4-(2-fluorophenyl)piperazino]methyl}-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768857
US11787802, Example 152
CID 169489716
1-[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]imidazolidin-2-one
CID 47281016
4-[3-(4-fluorobenzyl)-2-oxo-1-imidazolidinyl]-N-isopentyltetrahydro-1(2H)-pyridinecarboxamide
CID 53009785
4-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 53098498

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 135848144) is 2-[[4-[(4-fluorophenyl)methyl]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)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(Cc3ccc(F)cc3)CC1)N2.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is NUTBCWXRHYBXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-17-7-5-16(6-8-17)13-26-9-11-27(12-10-26)14-18-15-28-21(24-18)19-3-1-2-4-20(19)25-22(28)29/h1-8,18,24H,9-15H2.
What are the key properties of 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 393.47 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 135848144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).