[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H20F3N5O — CID 53184211

IUPAC[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC1CN=C2C=C(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)N=CN21
InChIInChI=1S/C19H20F3N5O/c1-13-11-23-17-10-16(24-12-27(13)17)25-5-7-26(8-6-25)18(28)14-3-2-4-15(9-14)19(20,21)22/h2-4,9-10,12-13H,5-8,11H2,1H3
InChIKeyDTRCXKNESBREJL-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.45
Rot. Bonds2

About [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 53184211) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID53184211
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCC1CN=C2C=C(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)N=CN21
InChIInChI=1S/C19H20F3N5O/c1-13-11-23-17-10-16(24-12-27(13)17)25-5-7-26(8-6-25)18(28)14-3-2-4-15(9-14)19(20,21)22/h2-4,9-10,12-13H,5-8,11H2,1H3
InChIKeyDTRCXKNESBREJL-UHFFFAOYSA-N
XLogP2.45
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[4-(Trifluoromethyl)piperidine-1-carbonyl]phenyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137129896
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)piperazin-1-yl]-2-phenylacetamide
CID 22957283
US11390610, Example 22
CID 165414456
US11390610, Example 31
CID 165414466
US10202354, Example 85
CID 121477880
N-[1-cyclohexyl-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide
CID 15987550
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}-3-(trifluoromethyl)benzamide
CID 44009900
[4-(3-Methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino][2-(trifluoromethyl)phenyl]methanone
CID 53184157
(3-Fluoro-4-methylphenyl)[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]methanone
CID 53184162
1-(3-Fluoro-4-methylbenzoyl)-4-{3-methyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazine
CID 53184216
1-(4-{2-Ethyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}piperazin-1-YL)-2-(2-fluorophenyl)ethan-1-one
CID 53184299
1-{2-Ethyl-2H,3H-imidazo[1,2-C]pyrimidin-7-YL}-4-(3-fluoro-4-methylbenzoyl)piperazine
CID 53184306

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 53184211) is [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is CC1CN=C2C=C(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)N=CN21.
What is the InChIKey of [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is DTRCXKNESBREJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-13-11-23-17-10-16(24-12-27(13)17)25-5-7-26(8-6-25)18(28)14-3-2-4-15(9-14)19(20,21)22/h2-4,9-10,12-13H,5-8,11H2,1H3.
What are the key properties of [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 391.40 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-2,3-dihydroimidazo[1,2-c]pyrimidin-7-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53184211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).