2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide

C22H30F3N5 — CID 155353250

IUPAC2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1C1=NC(c2ccc(CC/C=C/CCC)c(C(F)(F)F)c2)NC1
InChIInChI=1S/C22H30F3N5/c1-2-3-4-5-6-8-15-10-11-16(13-17(15)22(23,24)25)20-28-14-18(29-20)19-9-7-12-30(19)21(26)27/h4-5,10-11,13,19-20,28H,2-3,6-9,12,14H2,1H3,(H3,26,27)/b5-4+
InChIKeyNIPNSNDJQMYNTC-SNAWJCMRSA-N
MW421.51 g/mol
LogP4.39
Rot. Bonds7

About 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide

2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide (PubChem CID 155353250) has the molecular formula C22H30F3N5 and a molecular weight of 421.51 g/mol. Its IUPAC name is 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide
PubChem CID155353250
Molecular FormulaC22H30F3N5
Molecular Weight421.51 g/mol
Exact Mass421.25
IUPAC Name2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCCC1C1=NC(c2ccc(CC/C=C/CCC)c(C(F)(F)F)c2)NC1
InChIInChI=1S/C22H30F3N5/c1-2-3-4-5-6-8-15-10-11-16(13-17(15)22(23,24)25)20-28-14-18(29-20)19-9-7-12-30(19)21(26)27/h4-5,10-11,13,19-20,28H,2-3,6-9,12,14H2,1H3,(H3,26,27)/b5-4+
InChIKeyNIPNSNDJQMYNTC-SNAWJCMRSA-N
XLogP4.39
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1-pyrrolidin-2-ylethanimine
CID 123256396
N-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-4H-imidazol-2-amine
CID 130433561
(2S)-2-[4-methyl-5-[4-propyl-3-(trifluoromethyl)phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboximidamide
CID 131981233
2-[6-[3-(Trifluoromethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]-1,4-dihydropyrimidin-2-yl]pyrrolidine-1-carboximidamide
CID 131981270
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
5-methyl-N-[[2-[3-(trifluoromethyl)phenyl]phenyl]methyl]pyrrolidin-2-imine
CID 135674278
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-tert-butylphenyl)ethyl]-3-(trifluoromethyl)phenyl]prop-1-enyl]carbonimidoyl]pyrrolidine-1-carboximidamide;ethane
CID 145056531
2-[6-[4-[2-(4-Butylphenyl)ethyl]-3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-yl]pyrrolidine-1-carboximidamide
CID 145056599
2-[6-[4-[2-(4-Propylphenyl)ethyl]-3-(trifluoromethyl)phenyl]-1,4-dihydropyrimidin-2-yl]pyrrolidine-1-carboximidamide
CID 145056664
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide?
The IUPAC name of 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide (CID 155353250) is 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide?
The canonical SMILES for 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCCC1C1=NC(c2ccc(CC/C=C/CCC)c(C(F)(F)F)c2)NC1.
What is the InChIKey of 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide?
The InChIKey is NIPNSNDJQMYNTC-SNAWJCMRSA-N. The full InChI is InChI=1S/C22H30F3N5/c1-2-3-4-5-6-8-15-10-11-16(13-17(15)22(23,24)25)20-28-14-18(29-20)19-9-7-12-30(19)21(26)27/h4-5,10-11,13,19-20,28H,2-3,6-9,12,14H2,1H3,(H3,26,27)/b5-4+.
What are the key properties of 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide?
2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide has a molecular weight of 421.51 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(E)-hept-3-enyl]-3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-imidazol-4-yl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 155353250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).