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

C23H20F3N3 — CID 135965987

IUPAC(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine
SMILESC[C@@]1(c2cccc(F)c2)N/C(=N/Cc2cccc(F)c2)N[C@@H]1c1cccc(F)c1
InChIInChI=1S/C23H20F3N3/c1-23(17-7-4-10-20(26)13-17)21(16-6-3-9-19(25)12-16)28-22(29-23)27-14-15-5-2-8-18(24)11-15/h2-13,21H,14H2,1H3,(H2,27,28,29)/t21-,23+/m1/s1
InChIKeyBLUVEYDCCDEOLJ-GGAORHGYSA-N
MW395.43 g/mol
LogP4.81
Rot. Bonds4

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

(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine (PubChem CID 135965987) has the molecular formula C23H20F3N3 and a molecular weight of 395.43 g/mol. Its IUPAC name is (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine.

Molecular Properties

Compound Name(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine
PubChem CID135965987
Molecular FormulaC23H20F3N3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine
SMILESC[C@@]1(c2cccc(F)c2)N/C(=N/Cc2cccc(F)c2)N[C@@H]1c1cccc(F)c1
InChIInChI=1S/C23H20F3N3/c1-23(17-7-4-10-20(26)13-17)21(16-6-3-9-19(25)12-16)28-22(29-23)27-14-15-5-2-8-18(24)11-15/h2-13,21H,14H2,1H3,(H2,27,28,29)/t21-,23+/m1/s1
InChIKeyBLUVEYDCCDEOLJ-GGAORHGYSA-N
XLogP4.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine?
The IUPAC name of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine (CID 135965987) is (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine.
What is the SMILES notation for (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine?
The canonical SMILES for (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine is C[C@@]1(c2cccc(F)c2)N/C(=N/Cc2cccc(F)c2)N[C@@H]1c1cccc(F)c1.
What is the InChIKey of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine?
The InChIKey is BLUVEYDCCDEOLJ-GGAORHGYSA-N. The full InChI is InChI=1S/C23H20F3N3/c1-23(17-7-4-10-20(26)13-17)21(16-6-3-9-19(25)12-16)28-22(29-23)27-14-15-5-2-8-18(24)11-15/h2-13,21H,14H2,1H3,(H2,27,28,29)/t21-,23+/m1/s1.
What are the key properties of (4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine?
(4S,5R)-4,5-bis(3-fluorophenyl)-N-[(3-fluorophenyl)methyl]-4-methylimidazolidin-2-imine has a molecular weight of 395.43 g/mol, XLogP of 4.81, 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]-4-methylimidazolidin-2-imine is sourced from PubChem (CID 135965987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).