2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide

C20H24F3N5 — CID 155353332

IUPAC2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1C1=NC(c2ccc(CCC3CC3)c(C(F)(F)F)c2)=NC1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)15-10-14(8-7-13(15)6-5-12-3-4-12)18-26-11-16(27-18)17-2-1-9-28(17)19(24)25/h7-8,10,12,17H,1-6,9,11H2,(H3,24,25)
InChIKeyFMXHYORYJHDBHU-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide

2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide (PubChem CID 155353332) has the molecular formula C20H24F3N5 and a molecular weight of 391.44 g/mol. Its IUPAC name is 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide
PubChem CID155353332
Molecular FormulaC20H24F3N5
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC Name2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1C1=NC(c2ccc(CCC3CC3)c(C(F)(F)F)c2)=NC1
InChIInChI=1S/C20H24F3N5/c21-20(22,23)15-10-14(8-7-13(15)6-5-12-3-4-12)18-26-11-16(27-18)17-2-1-9-28(17)19(24)25/h7-8,10,12,17H,1-6,9,11H2,(H3,24,25)
InChIKeyFMXHYORYJHDBHU-UHFFFAOYSA-N
XLogP3.61
TPSA77.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[4-methyl-5-[4-propyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboximidamide
CID 131981233
(2S)-2-[4-[4-[2-(4-ethylphenyl)ethyl]-3-(trifluoromethyl)phenyl]-1-oxido-1,3-diazet-1-ium-2-yl]pyrrolidine-1-carboximidamide
CID 131981472
2-[C-butan-2-yl-N-[(Z)-1-[4-[2-(4-propylphenyl)ethyl]-3-(trifluoromethyl)phenyl]prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboximidamide
CID 131981480
(2S)-2-[3-[4-(2-cyclopentylethyl)-3-(trifluoromethyl)phenyl]-6H-1,2,4-oxadiazin-5-yl]pyrrolidine-1-carboximidamide
CID 132023267
2-[C-butan-2-yl-N-[(Z)-1-[3-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]but-1-enyl]carbonimidoyl]pyrrolidine-1-carboximidamide;ethane
CID 145056525
2-[C-butan-2-yl-N-[(Z)-1-[4-[2-(4-propylphenyl)ethyl]-3-(trifluoromethyl)phenyl]prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboximidamide;ethane
CID 145056855
acetylene;2-[2-[1-[4-[(E)-2-cyclohexylethenyl]-3-(trifluoromethyl)phenyl]ethylideneamino]ethyl]pyrrolidine-1-carboximidamide
CID 145378528
(2S)-2-[2-[4-(2-cyclohexylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide
CID 155353167
(2S)-2-[[(Z)-C-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-N-methoxycarbonimidoyl]iminomethyl]pyrrolidine-1-carboximidamide
CID 155353242
2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide
CID 155353250
2-[2-[4-but-3-enyl-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide
CID 155353300
2-[C-butan-2-yl-N-[(Z)-1-[3-(trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]but-1-enyl]carbonimidoyl]pyrrolidine-1-carboximidamide
CID 145056526

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide?
The IUPAC name of 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide (CID 155353332) is 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1C1=NC(c2ccc(CCC3CC3)c(C(F)(F)F)c2)=NC1.
What is the InChIKey of 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide?
The InChIKey is FMXHYORYJHDBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5/c21-20(22,23)15-10-14(8-7-13(15)6-5-12-3-4-12)18-26-11-16(27-18)17-2-1-9-28(17)19(24)25/h7-8,10,12,17H,1-6,9,11H2,(H3,24,25).
What are the key properties of 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide?
2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide has a molecular weight of 391.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-cyclopropylethyl)-3-(trifluoromethyl)phenyl]-4H-imidazol-5-yl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 155353332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).