N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine

C18H22FN5 — CID 142149674

IUPACN-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine
SMILESC=N/C=C\C1=CNC(CN2CCN=C2c2cccc(F)c2)N1CC
InChIInChI=1S/C18H22FN5/c1-3-24-16(7-8-20-2)12-22-17(24)13-23-10-9-21-18(23)14-5-4-6-15(19)11-14/h4-8,11-12,17,22H,2-3,9-10,13H2,1H3/b8-7-
InChIKeyDAXNPJZUSCIPOO-FPLPWBNLSA-N
MW327.41 g/mol
LogP2.19
Rot. Bonds6

About N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine

N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine (PubChem CID 142149674) has the molecular formula C18H22FN5 and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine.

Molecular Properties

Compound NameN-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine
PubChem CID142149674
Molecular FormulaC18H22FN5
Molecular Weight327.41 g/mol
Exact Mass327.19
IUPAC NameN-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine
SMILESC=N/C=C\C1=CNC(CN2CCN=C2c2cccc(F)c2)N1CC
InChIInChI=1S/C18H22FN5/c1-3-24-16(7-8-20-2)12-22-17(24)13-23-10-9-21-18(23)14-5-4-6-15(19)11-14/h4-8,11-12,17,22H,2-3,9-10,13H2,1H3/b8-7-
InChIKeyDAXNPJZUSCIPOO-FPLPWBNLSA-N
XLogP2.19
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine with MolForge

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Related Compounds

CID 44419881
CID 44419881
2-(3-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 21819953
2-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazole
CID 44269128
2-(2-fluorophenyl)-4,5-dihydro-1H-Imidazole
CID 12191520
CID 44419840
CID 44419840
N-(2,2-dimethylpropyl)-7-(2-fluorophenyl)-2,3-dihydro-1H-1,4-diazepin-5-amine
CID 44419865
CID 44419866
CID 44419866
CID 44419867
CID 44419867
CID 44419876
CID 44419876
CID 44419878
CID 44419878
CID 44419882
CID 44419882
CID 44419895
CID 44419895

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine?
The IUPAC name of N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine (CID 142149674) is N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine.
What is the SMILES notation for N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine?
The canonical SMILES for N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine is C=N/C=C\C1=CNC(CN2CCN=C2c2cccc(F)c2)N1CC.
What is the InChIKey of N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine?
The InChIKey is DAXNPJZUSCIPOO-FPLPWBNLSA-N. The full InChI is InChI=1S/C18H22FN5/c1-3-24-16(7-8-20-2)12-22-17(24)13-23-10-9-21-18(23)14-5-4-6-15(19)11-14/h4-8,11-12,17,22H,2-3,9-10,13H2,1H3/b8-7-.
What are the key properties of N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine?
N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine has a molecular weight of 327.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[3-ethyl-2-[[2-(3-fluorophenyl)-4,5-dihydroimidazol-1-yl]methyl]-1,2-dihydroimidazol-4-yl]ethenyl]methanimine is sourced from PubChem (CID 142149674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).