[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone

C25H24F3N5O2 — CID 141352183

IUPAC[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(N2CC=Cc3ccccc32)c(OC(F)(F)F)c1)N1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C25H24F3N5O2/c26-25(27,28)35-22-16-19(7-8-21(22)33-11-3-5-18-4-1-2-6-20(18)33)24(34)32-14-12-31(13-15-32)17-23-29-9-10-30-23/h1-10,16H,11-15,17H2,(H,29,30)
InChIKeyMEEPGYOPFMBSTI-UHFFFAOYSA-N
MW483.49 g/mol
LogP4.43
Rot. Bonds5

About [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone

[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone (PubChem CID 141352183) has the molecular formula C25H24F3N5O2 and a molecular weight of 483.49 g/mol. Its IUPAC name is [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone
PubChem CID141352183
Molecular FormulaC25H24F3N5O2
Molecular Weight483.49 g/mol
Exact Mass483.19
IUPAC Name[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(N2CC=Cc3ccccc32)c(OC(F)(F)F)c1)N1CCN(Cc2ncc[nH]2)CC1
InChIInChI=1S/C25H24F3N5O2/c26-25(27,28)35-22-16-19(7-8-21(22)33-11-3-5-18-4-1-2-6-20(18)33)24(34)32-14-12-31(13-15-32)17-23-29-9-10-30-23/h1-10,16H,11-15,17H2,(H,29,30)
InChIKeyMEEPGYOPFMBSTI-UHFFFAOYSA-N
XLogP4.43
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxypyridine-4-carbonyl)piperazin-1-yl]-[3-methoxy-4-(2H-quinolin-1-yl)phenyl]methanone
CID 141286684
[4-hydroxy-4-[2-(trifluoromethoxy)phenyl]piperidin-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141414978
[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-[4-(hydroperoxyamino)-3-(trifluoromethoxy)phenyl]methanone
CID 121290910
4-[4-(1H-imidazol-2-ylmethyl)piperazine-1-carbonyl]-3-methylbenzoic acid
CID 146143215
1-[4-(sulfinatoamino)-3-(trifluoromethoxy)benzoyl]-4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazine
CID 139375742
[4-[(2,3-dichlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(2H-quinolin-1-yl)phenyl]methanone
CID 141286572
(2-pyridin-2-yl-3H-benzimidazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 134346209
N-[4-[4-[(3,5-difluorophenyl)methyl]piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]quinoline-8-sulfonamide
CID 134404664
4-amino-N-[4-[4-(1H-imidazol-5-ylmethyl)piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 150897432
quinolin-8-ylmethyl N-[4-[4-(1H-pyrazol-4-ylmethyl)piperazine-1-carbonyl]-2-(trifluoromethoxy)phenyl]carbamate
CID 123876424
1H-indol-6-yl-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 86284048
3-phenyl-1-[4-[4-(2H-quinolin-1-yl)benzoyl]-1,4-diazepan-1-yl]propan-1-one
CID 141286592

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone (CID 141352183) is [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(N2CC=Cc3ccccc32)c(OC(F)(F)F)c1)N1CCN(Cc2ncc[nH]2)CC1.
What is the InChIKey of [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is MEEPGYOPFMBSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2/c26-25(27,28)35-22-16-19(7-8-21(22)33-11-3-5-18-4-1-2-6-20(18)33)24(34)32-14-12-31(13-15-32)17-23-29-9-10-30-23/h1-10,16H,11-15,17H2,(H,29,30).
What are the key properties of [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone?
[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 483.49 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-[4-(2H-quinolin-1-yl)-3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 141352183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).