(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine

C22H18F3N3 — CID 135458217

IUPAC(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
SMILESFc1cccc(C/N=C2/N[C@H](c3cccc(F)c3)[C@H](c3cccc(F)c3)N2)c1
InChIInChI=1S/C22H18F3N3/c23-17-7-1-4-14(10-17)13-26-22-27-20(15-5-2-8-18(24)11-15)21(28-22)16-6-3-9-19(25)12-16/h1-12,20-21H,13H2,(H2,26,27,28)/t20-,21+
InChIKeyWINIQPJCGMYACE-OYRHEFFESA-N
MW381.40 g/mol
LogP4.64
Rot. Bonds4

About (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine

(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine (PubChem CID 135458217) has the molecular formula C22H18F3N3 and a molecular weight of 381.40 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
PubChem CID135458217
Molecular FormulaC22H18F3N3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine
SMILESFc1cccc(C/N=C2/N[C@H](c3cccc(F)c3)[C@H](c3cccc(F)c3)N2)c1
InChIInChI=1S/C22H18F3N3/c23-17-7-1-4-14(10-17)13-26-22-27-20(15-5-2-8-18(24)11-15)21(28-22)16-6-3-9-19(25)12-16/h1-12,20-21H,13H2,(H2,26,27,28)/t20-,21+
InChIKeyWINIQPJCGMYACE-OYRHEFFESA-N
XLogP4.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tpi 1361-17
CID 11305934
2,4,5-Triphenyl-2-imidazoline
CID 101777
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methyl]-4,5-dihydro-1H-imidazole
CID 11188163
(4R,5S)-2-[(2-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11209712
(4R,5S)-4,5-diphenyl-2-(4-phenylbutyl)-4,5-dihydro-1H-imidazole
CID 11294314
(4R,5S)-2-[2-(2-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11416652
(4R,5S)-4,5-diphenyl-2-(3-phenylpropyl)-4,5-dihydro-1H-imidazole
CID 11442400
(4R,5S)-2-[(2,3-difluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11462177
(4R,5S)-2-[2-(3-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388772
(4R,5S)-2-[2-(4-fluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388773
(4R,5S)-2-[(3-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388973
(4R,5S)-2-[(4-fluorophenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388975

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine?
The IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine (CID 135458217) is (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine.
What is the SMILES notation for (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine?
The canonical SMILES for (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine is Fc1cccc(C/N=C2/N[C@H](c3cccc(F)c3)[C@H](c3cccc(F)c3)N2)c1.
What is the InChIKey of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine?
The InChIKey is WINIQPJCGMYACE-OYRHEFFESA-N. The full InChI is InChI=1S/C22H18F3N3/c23-17-7-1-4-14(10-17)13-26-22-27-20(15-5-2-8-18(24)11-15)21(28-22)16-6-3-9-19(25)12-16/h1-12,20-21H,13H2,(H2,26,27,28)/t20-,21+.
What are the key properties of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine?
(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine has a molecular weight of 381.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]imidazolidin-2-imine is sourced from PubChem (CID 135458217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).