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

C22H22F3N5O — CID 2768858

IUPAC2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)N2
InChIInChI=1S/C22H22F3N5O/c23-22(24,25)15-4-3-5-17(12-15)29-10-8-28(9-11-29)13-16-14-30-20(26-16)18-6-1-2-7-19(18)27-21(30)31/h1-7,12,16,26H,8-11,13-14H2
InChIKeyVYWBXTOISLBVDZ-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.03
Rot. Bonds3

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

2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (PubChem CID 2768858) has the molecular formula C22H22F3N5O and a molecular weight of 429.45 g/mol. Its IUPAC name is 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.

Molecular Properties

Compound Name2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
PubChem CID2768858
Molecular FormulaC22H22F3N5O
Molecular Weight429.45 g/mol
Exact Mass429.18
IUPAC Name2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
SMILESO=c1nc2ccccc2c2n1CC(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)N2
InChIInChI=1S/C22H22F3N5O/c23-22(24,25)15-4-3-5-17(12-15)29-10-8-28(9-11-29)13-16-14-30-20(26-16)18-6-1-2-7-19(18)27-21(30)31/h1-7,12,16,26H,8-11,13-14H2
InChIKeyVYWBXTOISLBVDZ-UHFFFAOYSA-N
XLogP3.03
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135569887
(2S)-2-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137182178
(3Z)-3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methylidene]-1,2-dihydropyrrolo[2,1-b]quinazolin-9-one;hydrate;hydrochloride
CID 6603135
1-(cyclopropylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;2,3-dihydroxybutanedioic acid
CID 13035993
1-(anthracen-9-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2244842
1-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 18555364
1-[[(4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 170361843
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-4H-pyrido[3,4-e][1,2,4]oxadiazin-3-one
CID 70289100
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinolin-4-yl]methanone
CID 92772651
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18199925
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 76852194
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The IUPAC name of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one (CID 2768858) is 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one.
What is the SMILES notation for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The canonical SMILES for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is O=c1nc2ccccc2c2n1CC(CN1CCN(c3cccc(C(F)(F)F)c3)CC1)N2.
What is the InChIKey of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
The InChIKey is VYWBXTOISLBVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O/c23-22(24,25)15-4-3-5-17(12-15)29-10-8-28(9-11-29)13-16-14-30-20(26-16)18-6-1-2-7-19(18)27-21(30)31/h1-7,12,16,26H,8-11,13-14H2.
What are the key properties of 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one?
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one has a molecular weight of 429.45 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one is sourced from PubChem (CID 2768858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).