methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate

C24H23FN2O2 — CID 138980057

IUPACmethyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1N[C@H](c2ccccc2)N(Cc2cccc(F)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23FN2O2/c1-29-24(28)21-22(18-10-4-2-5-11-18)27(16-17-9-8-14-20(25)15-17)23(26-21)19-12-6-3-7-13-19/h2-15,21-23,26H,16H2,1H3/t21-,22-,23+/m1/s1
InChIKeyZFLJDUFXOBMWFK-ZLNRFVROSA-N
MW390.46 g/mol
LogP4.21
Rot. Bonds5

About methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate

methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate (PubChem CID 138980057) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate
PubChem CID138980057
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Namemethyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate
SMILESCOC(=O)[C@@H]1N[C@H](c2ccccc2)N(Cc2cccc(F)c2)[C@@H]1c1ccccc1
InChIInChI=1S/C24H23FN2O2/c1-29-24(28)21-22(18-10-4-2-5-11-18)27(16-17-9-8-14-20(25)15-17)23(26-21)19-12-6-3-7-13-19/h2-15,21-23,26H,16H2,1H3/t21-,22-,23+/m1/s1
InChIKeyZFLJDUFXOBMWFK-ZLNRFVROSA-N
XLogP4.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
methyl 4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270161
1-[(3-fluorophenyl)methyl]-2,5-dimethylpyrrolidine
CID 146164632
N-benzyl-1-[(3-fluorophenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46247167
methyl (2R,3R)-1-benzyl-3-(3-nitrophenyl)aziridine-2-carboxylate
CID 12982647
methyl (2S,3R)-3-(3-fluorophenyl)oxirane-2-carboxylate
CID 95212361
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
CID 102568183
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate?
The IUPAC name of methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate (CID 138980057) is methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate?
The canonical SMILES for methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate is COC(=O)[C@@H]1N[C@H](c2ccccc2)N(Cc2cccc(F)c2)[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate?
The InChIKey is ZFLJDUFXOBMWFK-ZLNRFVROSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-29-24(28)21-22(18-10-4-2-5-11-18)27(16-17-9-8-14-20(25)15-17)23(26-21)19-12-6-3-7-13-19/h2-15,21-23,26H,16H2,1H3/t21-,22-,23+/m1/s1.
What are the key properties of methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate?
methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R,5R)-1-[(3-fluorophenyl)methyl]-2,5-diphenylimidazolidine-4-carboxylate is sourced from PubChem (CID 138980057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).