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

C24H24FN3 — CID 135966074

IUPAC(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine
SMILESCc1cccc([C@H]2N/C(=N\Cc3cccc(F)c3)N[C@H]2c2cccc(C)c2)c1
InChIInChI=1S/C24H24FN3/c1-16-6-3-9-19(12-16)22-23(20-10-4-7-17(2)13-20)28-24(27-22)26-15-18-8-5-11-21(25)14-18/h3-14,22-23H,15H2,1-2H3,(H2,26,27,28)/t22-,23+
InChIKeyILWIFXREUGXHMS-ZRZAMGCNSA-N
MW373.48 g/mol
LogP4.97
Rot. Bonds4

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

(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine (PubChem CID 135966074) has the molecular formula C24H24FN3 and a molecular weight of 373.48 g/mol. Its IUPAC name is (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine.

Molecular Properties

Compound Name(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine
PubChem CID135966074
Molecular FormulaC24H24FN3
Molecular Weight373.48 g/mol
Exact Mass373.20
IUPAC Name(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine
SMILESCc1cccc([C@H]2N/C(=N\Cc3cccc(F)c3)N[C@H]2c2cccc(C)c2)c1
InChIInChI=1S/C24H24FN3/c1-16-6-3-9-19(12-16)22-23(20-10-4-7-17(2)13-20)28-24(27-22)26-15-18-8-5-11-21(25)14-18/h3-14,22-23H,15H2,1-2H3,(H2,26,27,28)/t22-,23+
InChIKeyILWIFXREUGXHMS-ZRZAMGCNSA-N
XLogP4.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.97
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
4,4-bis(4-fluorophenyl)-2-m-tolyl-4,5-dihydro-1H-imidazole
CID 10154767
(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
(4R,5S)-2-[2-(3,4-difluorophenyl)ethyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 44388990

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine?
The IUPAC name of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine (CID 135966074) is (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine.
What is the SMILES notation for (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine?
The canonical SMILES for (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine is Cc1cccc([C@H]2N/C(=N\Cc3cccc(F)c3)N[C@H]2c2cccc(C)c2)c1.
What is the InChIKey of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine?
The InChIKey is ILWIFXREUGXHMS-ZRZAMGCNSA-N. The full InChI is InChI=1S/C24H24FN3/c1-16-6-3-9-19(12-16)22-23(20-10-4-7-17(2)13-20)28-24(27-22)26-15-18-8-5-11-21(25)14-18/h3-14,22-23H,15H2,1-2H3,(H2,26,27,28)/t22-,23+.
What are the key properties of (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine?
(4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine has a molecular weight of 373.48 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-N-[(3-fluorophenyl)methyl]-4,5-bis(3-methylphenyl)imidazolidin-2-imine is sourced from PubChem (CID 135966074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).