4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one

C17H21F3N4O — CID 143125296

IUPAC4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N4O/c1-13-12-21-16(25)24(13)10-7-22-5-8-23(9-6-22)15-4-2-3-14(11-15)17(18,19)20/h2-4,11-12H,5-10H2,1H3,(H,21,25)
InChIKeyRGKSKGYOMFHHKC-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.33
Rot. Bonds4

About 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one

4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 143125296) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID143125296
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C17H21F3N4O/c1-13-12-21-16(25)24(13)10-7-22-5-8-23(9-6-22)15-4-2-3-14(11-15)17(18,19)20/h2-4,11-12H,5-10H2,1H3,(H,21,25)
InChIKeyRGKSKGYOMFHHKC-UHFFFAOYSA-N
XLogP2.33
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butanedioic acid;3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 67438820
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3-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexyl]-1H-benzimidazol-2-one
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2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
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1-(2-bromoethyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 61287958
2,3-dihydroxybutanedioic acid;bis(3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one)
CID 11629377
1-ethyl-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 59144857
1-hexyl-4-[3-(trifluoromethyl)phenyl]piperazine
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1-(2-methoxyethyl)-3-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]benzimidazol-2-one
CID 10277233
1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-3H-indol-2-one
CID 10157148
1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine
CID 3051828
1-(2-phenylethyl)-4-[3-(trifluoromethyl)phenyl]piperazine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one (CID 143125296) is 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one is Cc1c[nH]c(=O)n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is RGKSKGYOMFHHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-13-12-21-16(25)24(13)10-7-22-5-8-23(9-6-22)15-4-2-3-14(11-15)17(18,19)20/h2-4,11-12H,5-10H2,1H3,(H,21,25).
What are the key properties of 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one?
4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 354.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 143125296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).