(4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine

C22H19F2N3 — CID 135412930

IUPAC(4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
SMILESFc1ccc(C/N=C2\N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1F
InChIInChI=1S/C22H19F2N3/c23-18-12-11-15(13-19(18)24)14-25-22-26-20(16-7-3-1-4-8-16)21(27-22)17-9-5-2-6-10-17/h1-13,20-21H,14H2,(H2,25,26,27)/t20-,21+
InChIKeyHVJXRHVKAZCMCS-OYRHEFFESA-N
MW363.41 g/mol
LogP4.50
Rot. Bonds4

About (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine

(4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine (PubChem CID 135412930) has the molecular formula C22H19F2N3 and a molecular weight of 363.41 g/mol. Its IUPAC name is (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine.

Molecular Properties

Compound Name(4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
PubChem CID135412930
Molecular FormulaC22H19F2N3
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name(4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
SMILESFc1ccc(C/N=C2\N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1F
InChIInChI=1S/C22H19F2N3/c23-18-12-11-15(13-19(18)24)14-25-22-26-20(16-7-3-1-4-8-16)21(27-22)17-9-5-2-6-10-17/h1-13,20-21H,14H2,(H2,25,26,27)/t20-,21+
InChIKeyHVJXRHVKAZCMCS-OYRHEFFESA-N
XLogP4.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.50
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

(4R,5S)-N-benzyl-4-(4-chlorophenyl)-5-[4-(cyclopropen-1-yl)phenyl]imidazolidin-2-imine
CID 163629733
1-benzyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 51131588
N-[(3,4-difluorophenyl)methyl]-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746998
4-benzylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 137129940
N-[(3,4-difluorophenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-3-amine
CID 106701067
(4S,5R)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567391
2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 68567393
(4R,5S)-2-[(3-fluoro-4-methylphenyl)methyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 11371356
5-[(3,4-difluorophenyl)methyl]-6-(4-phenylcyclohexyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 89448104
(3,4-difluorophenyl)methyl-triphenylphosphanium bromide
CID 10790485
2-[carboxymethyl-[(3,4-difluorophenyl)methyl]amino]acetic acid
CID 65065447
2-[(3,4-difluorophenyl)methylamino]benzoic acid
CID 43322141

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
The IUPAC name of (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine (CID 135412930) is (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine.
What is the SMILES notation for (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
The canonical SMILES for (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine is Fc1ccc(C/N=C2\N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)cc1F.
What is the InChIKey of (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
The InChIKey is HVJXRHVKAZCMCS-OYRHEFFESA-N. The full InChI is InChI=1S/C22H19F2N3/c23-18-12-11-15(13-19(18)24)14-25-22-26-20(16-7-3-1-4-8-16)21(27-22)17-9-5-2-6-10-17/h1-13,20-21H,14H2,(H2,25,26,27)/t20-,21+.
What are the key properties of (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
(4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine has a molecular weight of 363.41 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N-[(3,4-difluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine is sourced from PubChem (CID 135412930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).